C612-0840 Screening compound: 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid

C612-0840 Screening compound: 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
C612-0840 Screening compound: 3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0840
3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic 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

C612-0840

Molecular Formula

C13H10ClN3O3 (C13 H10 ClN3 O3)

Compound Name

3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid

IUPAC name

3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid

SMILES

Cc(cc1)cc(Cl)c1NC(c1nccnc1C(O)=O)=O

InChI

InChI=1S/C13H10ClN3O3/c1-7-2-3-9(8(14)6-7)17-12(18)10-11(13(19)20)16-5-4-15-10/h2-6H,1H3,(H,17,18)(H,19,20)

InChI Key

RSQIOAYFDUUGQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.493

Distribution Coefficient, logD

-3.953

Water Solubility, LogSw

-2.43

Polar Surface Area

70.677

Acid Dissociation Constant (pKa)

1.95

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C612-0840 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C612-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0840?
Check Price and Availability of C612-0840, 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 C612-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0840
  • 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 C612-0840 available by request