G786-1245 Screening compound: 5-(1,3-benzothiazol-2-yl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

G786-1245 Screening compound: 5-(1,3-benzothiazol-2-yl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
G786-1245 Screening compound: 5-(1,3-benzothiazol-2-yl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1245
5-(1,3-benzothiazol-2-yl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]thiophene-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

G786-1245

Molecular Formula

C20H12N4OS3 (C20 H12 N4 OS3)

Compound Name

5-(1,3-benzothiazol-2-yl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

IUPAC name

5-(13-benzothiazol-2-yl)-N-[4-(pyridin-4-yl)-13-thiazol-2-yl]thiophene-2-carboxamide

SMILES

O=C(c1ccc(-c2nc(cccc3)c3s2)s1)Nc1nc(-c2ccncc2)cs1

InChI

InChI=1S/C20H12N4OS3/c25-18(24-20-23-14(11-26-20)12-7-9-21-10-8-12)16-5-6-17(27-16)19-22-13-3-1-2-4-15(13)28-19/h1-11H,(H,23,24,25)

InChI Key

NHLDPCCGPPGIQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04429165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.923

Distribution Coefficient, logD

5.923

Water Solubility, LogSw

-5.81

Polar Surface Area

53.000

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

G786-1245 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with G786-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1245?
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What is the minimum amount of G786-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1245
  • 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 G786-1245 available by request