G856-2361 Screening compound: ethyl 2-{[(4-nitrophenyl)carbamoyl]amino}-1,3-thiazole-4-carboxylate

G856-2361 Screening compound: ethyl 2-{[(4-nitrophenyl)carbamoyl]amino}-1,3-thiazole-4-carboxylate
G856-2361 Screening compound: ethyl 2-{[(4-nitrophenyl)carbamoyl]amino}-1,3-thiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-2361
ethyl 2-{[(4-nitrophenyl)carbamoyl]amino}-1,3-thiazole-4-carboxylate

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

G856-2361

Molecular Formula

C13H12N4O5S (C13 H12 N4 O5 S)

Compound Name

ethyl 2-{[(4-nitrophenyl)carbamoyl]amino}-1,3-thiazole-4-carboxylate

IUPAC name

ethyl 2-{[(4-nitrophenyl)carbamoyl]amino}-13-thiazole-4-carboxylate

SMILES

CCOC(c1csc(NC(Nc(cc2)ccc2[N+]([O-])=O)=O)n1)=O

InChI

InChI=1S/C13H12N4O5S/c1-2-22-11(18)10-7-23-13(15-10)16-12(19)14-8-3-5-9(6-4-8)17(20)21/h3-7H,2H2,1H3,(H2,14,15,16,19)

InChI Key

ZOKRDALIJZFJDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.321

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.64

Polar Surface Area

96.723

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

G856-2361 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G856-2361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-2361?
Check Price and Availability of G856-2361, 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 G856-2361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-2361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-2361
  • 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 G856-2361 available by request