1047-0018 Screening compound: 2-[(2-chloro-5-nitrophenyl)carbamoyl]benzoic acid

1047-0018 Screening compound: 2-[(2-chloro-5-nitrophenyl)carbamoyl]benzoic acid
1047-0018 Screening compound: 2-[(2-chloro-5-nitrophenyl)carbamoyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1047-0018
2-[(2-chloro-5-nitrophenyl)carbamoyl]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

1047-0018

Molecular Formula

C14H9ClN2O5 (C14 H9 ClN2 O5)

Compound Name

2-[(2-chloro-5-nitrophenyl)carbamoyl]benzoic acid

IUPAC name

2-[(2-chloro-5-nitrophenyl)carbamoyl]benzoic acid

SMILES

[O-][N+](c(cc1)cc(NC(c(cccc2)c2C(O)=O)=O)c1Cl)=O

InChI

InChI=1S/C14H9ClN2O5/c15-11-6-5-8(17(21)22)7-12(11)16-13(18)9-3-1-2-4-10(9)14(19)20/h1-7H,(H,16,18)(H,19,20)

InChI Key

FKSAINWXPBNXQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00034546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.669

Distribution Coefficient, logD

-1.773

Water Solubility, LogSw

-3.48

Polar Surface Area

84.421

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

-5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1047-0018 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1047-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1047-0018?
Check Price and Availability of 1047-0018, 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 1047-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1047-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1047-0018
  • 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 1047-0018 available by request