G786-1212 Screening compound: N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide

G786-1212 Screening compound: N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
G786-1212 Screening compound: N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1212
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide

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

G786-1212

Molecular Formula

C12H5Cl2N3O4S2 (C12 H5 Cl2 N3 O4 S2)

Compound Name

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide

IUPAC name

N-[4-(25-dichlorothiophen-3-yl)-13-thiazol-2-yl]-5-nitrofuran-2-carboxamide

SMILES

[O-][N+](c1ccc(C(Nc2nc(-c(cc(s3)Cl)c3Cl)cs2)=O)o1)=O

InChI

InChI=1S/C12H5Cl2N3O4S2/c13-8-3-5(10(14)23-8)6-4-22-12(15-6)16-11(18)7-1-2-9(21-7)17(19)20/h1-4H,(H,15,16,18)

InChI Key

NRBOBKWUACGQTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04420332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.459

Water Solubility, LogSw

-4.75

Polar Surface Area

76.783

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

G786-1212 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G786-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1212?
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What is the minimum amount of G786-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1212
  • 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 G786-1212 available by request