C612-1045 Screening compound: 3-{[3-(methylsulfanyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid

C612-1045 Screening compound: 3-{[3-(methylsulfanyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid
C612-1045 Screening compound: 3-{[3-(methylsulfanyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1045
3-{[3-(methylsulfanyl)phenyl]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

C612-1045

Molecular Formula

C13H11N3O3S (C13 H11 N3 O3 S)

Compound Name

3-{[3-(methylsulfanyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid

IUPAC name

3-{[3-(methylsulfanyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid

SMILES

CSc1cc(NC(c2nccnc2C(O)=O)=O)ccc1

InChI

InChI=1S/C13H11N3O3S/c1-20-9-4-2-3-8(7-9)16-12(17)10-11(13(18)19)15-6-5-14-10/h2-7H,1H3,(H,16,17)(H,18,19)

InChI Key

RQOAYTDJZLXJFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.032

Distribution Coefficient, logD

-4.414

Water Solubility, LogSw

-2.30

Polar Surface Area

71.374

Acid Dissociation Constant (pKa)

1.95

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C612-1045 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C612-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-1045?
Check Price and Availability of C612-1045, 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 C612-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1045
  • 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 C612-1045 available by request