8017-6131 Screening compound: 4-(1H-1,3-benzimidazol-1-ylmethyl)-2-thiophenecarbaldehyde

8017-6131 Screening compound: 4-(1H-1,3-benzimidazol-1-ylmethyl)-2-thiophenecarbaldehyde
8017-6131 Screening compound: 4-(1H-1,3-benzimidazol-1-ylmethyl)-2-thiophenecarbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6131
4-(1H-1,3-benzimidazol-1-ylmethyl)-2-thiophenecarbaldehyde

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

8017-6131

Molecular Formula

C13H10N2OS (C13 H10 N2 OS)

Compound Name

4-(1H-1,3-benzimidazol-1-ylmethyl)-2-thiophenecarbaldehyde

IUPAC name

4-[(1H-13-benzodiazol-1-yl)methyl]thiophene-2-carbaldehyde

SMILES

O=Cc1cc(Cn2c(cccc3)c3nc2)cs1

InChI

InChI=1S/C13H10N2OS/c16-7-11-5-10(8-17-11)6-15-9-14-12-3-1-2-4-13(12)15/h1-5,7-9H,6H2

InChI Key

ZRCCMEXVAIXJEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06616901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.084

Distribution Coefficient, logD

2.081

Water Solubility, LogSw

-2.37

Polar Surface Area

25.601

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8017-6131 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8017-6131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6131?
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What is the minimum amount of 8017-6131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6131
  • 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 8017-6131 available by request