C270-0812 Screening compound: methyl 3-{[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]amino}benzoate

C270-0812 Screening compound: methyl 3-{[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]amino}benzoate
C270-0812 Screening compound: methyl 3-{[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C270-0812
methyl 3-{[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]amino}benzoate

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

C270-0812

Molecular Formula

C23H28FN3O3 (C23 H28 FN3 O3)

Compound Name

methyl 3-{[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]amino}benzoate

IUPAC name

methyl 3-{[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]amino}benzoate

SMILES

COC(c1cccc(NC(NCC2CCN(CCc(cc3)ccc3F)CC2)=O)c1)=O

InChI

InChI=1S/C23H28FN3O3/c1-30-22(28)19-3-2-4-21(15-19)26-23(29)25-16-18-10-13-27(14-11-18)12-9-17-5-7-20(24)8-6-17/h2-8,15,18H,9-14,16H2,1H3,(H2,25,26,29)

InChI Key

XBXRXZHJZCEXGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.360

Distribution Coefficient, logD

1.879

Water Solubility, LogSw

-4.30

Polar Surface Area

58.748

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

9.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C270-0812 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C270-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C270-0812?
Check Price and Availability of C270-0812, 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 C270-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C270-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C270-0812
  • 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 C270-0812 available by request