8015-6814 Screening compound: 3-[(anilinocarbonyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid

8015-6814 Screening compound: 3-[(anilinocarbonyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid
8015-6814 Screening compound: 3-[(anilinocarbonyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6814
3-[(anilinocarbonyl)amino]-3-(2-chloro-5-nitrophenyl)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

8015-6814

Molecular Formula

C16H14ClN3O5 (C16 H14 ClN3 O5)

Compound Name

3-[(anilinocarbonyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid

IUPAC name

3-(2-chloro-5-nitrophenyl)-3-[(phenylcarbamoyl)amino]propanoic acid

SMILES

[O-][N+](c(cc1)cc(C(CC(O)=O)NC(Nc2ccccc2)=O)c1Cl)=O

InChI

InChI=1S/C16H14ClN3O5/c17-13-7-6-11(20(24)25)8-12(13)14(9-15(21)22)19-16(23)18-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,21,22)(H2,18,19,23)/t14-/m0/s1

InChI Key

AMBZEKLFQDJAIM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04190831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.76

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.812

Distribution Coefficient, logD

0.174

Water Solubility, LogSw

-3.37

Polar Surface Area

95.259

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8015-6814 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-6814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6814?
Check Price and Availability of 8015-6814, 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 8015-6814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6814
  • 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 8015-6814 available by request