C081-2794 Screening compound: 2-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione

C081-2794 Screening compound: 2-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione
C081-2794 Screening compound: 2-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C081-2794
2-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione

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

C081-2794

Molecular Formula

C16H8N4O6S2 (C16 H8 N4 O6 S2)

Compound Name

2-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione

IUPAC name

2-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]-1H2H3H-pyrrolo[34-c]pyridine-13-dione

SMILES

[O-][N+](c(cc1)ccc1S(c1cnc(N(C(c2c3cncc2)=O)C3=O)s1)(=O)=O)=O

InChI

InChI=1S/C16H8N4O6S2/c21-14-11-5-6-17-7-12(11)15(22)19(14)16-18-8-13(27-16)28(25,26)10-3-1-9(2-4-10)20(23)24/h1-8H

InChI Key

HZGVDPMXGCBZMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.39

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.873

Distribution Coefficient, logD

1.873

Water Solubility, LogSw

-2.29

Polar Surface Area

111.622

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C081-2794 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C081-2794 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C081-2794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C081-2794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C081-2794
  • 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 C081-2794 available by request