ZC47-0113 Screening compound: 3-[({2-methyl-4-[1-(2-phenylacetyl)piperidin-4-yl]pyrimidin-5-yl}formamido)methyl]benzoic acid

ZC47-0113 Screening compound: 3-[({2-methyl-4-[1-(2-phenylacetyl)piperidin-4-yl]pyrimidin-5-yl}formamido)methyl]benzoic acid
ZC47-0113 Screening compound: 3-[({2-methyl-4-[1-(2-phenylacetyl)piperidin-4-yl]pyrimidin-5-yl}formamido)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound ZC47-0113
3-[({2-methyl-4-[1-(2-phenylacetyl)piperidin-4-yl]pyrimidin-5-yl}formamido)methyl]benzoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

ZC47-0113

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

3-[({2-methyl-4-[1-(2-phenylacetyl)piperidin-4-yl]pyrimidin-5-yl}formamido)methyl]benzoic acid

IUPAC name

3-[({2-methyl-4-[1-(2-phenylacetyl)piperidin-4-yl]pyrimidin-5-yl}formamido)methyl]benzoic acid

SMILES

Cc(nc1)nc(C(CC2)CCN2C(Cc2ccccc2)=O)c1C(NCc1cccc(C(O)=O)c1)=O

InChI

InChI=1S/C27H28N4O4/c1-18-28-17-23(26(33)29-16-20-8-5-9-22(14-20)27(34)35)25(30-18)21-10-12-31(13-11-21)24(32)15-19-6-3-2-4-7-19/h2-9,14,17,21H,10-13,15-16H2,1H3,(H,29,33)(H,34,35)

InChI Key

FHNYQWCYNOCWBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31958161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.474

Distribution Coefficient, logD

0.112

Water Solubility, LogSw

-3.51

Polar Surface Area

88.385

Acid Dissociation Constant (pKa)

4.04

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.63

ZC47-0113 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with ZC47-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound ZC47-0113?
Check Price and Availability of ZC47-0113, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of ZC47-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for ZC47-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for ZC47-0113
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of ZC47-0113 available by request