0640-0226 Screening compound: 3-[(4-carboxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

0640-0226 Screening compound: 3-[(4-carboxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
0640-0226 Screening compound: 3-[(4-carboxyphenyl)carbamoyl]pyrazine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0640-0226
3-[(4-carboxyphenyl)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

0640-0226

Molecular Formula

C13H9N3O5 (C13 H9 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cc1)ccc1NC(c1nccnc1C(O)=O)=O)=O

InChI

InChI=1S/C13H9N3O5/c17-11(9-10(13(20)21)15-6-5-14-9)16-8-3-1-7(2-4-8)12(18)19/h1-6H,(H,16,17)(H,18,19)(H,20,21)

InChI Key

BJQMZEDTXXPBFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00411725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.419

Distribution Coefficient, logD

-5.026

Water Solubility, LogSw

-1.57

Polar Surface Area

99.782

Acid Dissociation Constant (pKa)

1.95

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0640-0226 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 0640-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0640-0226?
Check Price and Availability of 0640-0226, 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 0640-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0640-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0640-0226
  • 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 0640-0226 available by request