8018-8197 Screening compound: 2-(1H-1,3-benzimidazol-2-yl)-5-bromo-4,6-dimethylthieno[2,3-b]pyridin-3-amine

8018-8197 Screening compound: 2-(1H-1,3-benzimidazol-2-yl)-5-bromo-4,6-dimethylthieno[2,3-b]pyridin-3-amine
8018-8197 Screening compound: 2-(1H-1,3-benzimidazol-2-yl)-5-bromo-4,6-dimethylthieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8197
2-(1H-1,3-benzimidazol-2-yl)-5-bromo-4,6-dimethylthieno[2,3-b]pyridin-3-amine

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

8018-8197

Molecular Formula

C16H13BrN4S (C16 H13 BrN4 S)

Compound Name

2-(1H-1,3-benzimidazol-2-yl)-5-bromo-4,6-dimethylthieno[2,3-b]pyridin-3-amine

IUPAC name

2-(1H-13-benzodiazol-2-yl)-5-bromo-46-dimethylthieno[23-b]pyridin-3-amine

SMILES

Cc1c(c(N)c(-c2nc(cccc3)c3[nH]2)s2)c2nc(C)c1Br

InChI

InChI=1S/C16H13BrN4S/c1-7-11-13(18)14(22-16(11)19-8(2)12(7)17)15-20-9-5-3-4-6-10(9)21-15/h3-6H,18H2,1-2H3,(H,20,21)

InChI Key

ZKTIMXUWSONOAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.491

Distribution Coefficient, logD

4.462

Water Solubility, LogSw

-4.68

Polar Surface Area

48.941

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8018-8197 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-8197 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8197
  • 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 8018-8197 available by request