8015-2868 Screening compound: 3-(4-chlorophenyl)-3-(2-phenylbutanamido)propanoic acid

8015-2868 Screening compound: 3-(4-chlorophenyl)-3-(2-phenylbutanamido)propanoic acid
8015-2868 Screening compound: 3-(4-chlorophenyl)-3-(2-phenylbutanamido)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2868
3-(4-chlorophenyl)-3-(2-phenylbutanamido)propanoic 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

8015-2868

Molecular Formula

C19H20ClNO3 (C19 H20 ClNO3)

Compound Name

3-(4-chlorophenyl)-3-(2-phenylbutanamido)propanoic acid

IUPAC name

3-(4-chlorophenyl)-3-(2-phenylbutanamido)propanoic acid

SMILES

CCC(C(NC(CC(O)=O)c(cc1)ccc1Cl)=O)c1ccccc1

InChI

InChI=1S/C19H20ClNO3/c1-2-16(13-6-4-3-5-7-13)19(24)21-17(12-18(22)23)14-8-10-15(20)11-9-14/h3-11,16-17H,2,12H2,1H3,(H,21,24)(H,22,23)

InChI Key

VCSLAJAFVDYRDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.835

Distribution Coefficient, logD

1.198

Water Solubility, LogSw

-4.36

Polar Surface Area

52.666

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

8015-2868 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8015-2868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2868?
Check Price and Availability of 8015-2868, 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 8015-2868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2868
  • 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 8015-2868 available by request