8017-9338 Screening compound: 4-(1H-1,3-benzimidazol-1-ylmethyl)-5-methyl-2-thiophenecarbaldehyde

8017-9338 Screening compound: 4-(1H-1,3-benzimidazol-1-ylmethyl)-5-methyl-2-thiophenecarbaldehyde
8017-9338 Screening compound: 4-(1H-1,3-benzimidazol-1-ylmethyl)-5-methyl-2-thiophenecarbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9338
4-(1H-1,3-benzimidazol-1-ylmethyl)-5-methyl-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

8017-9338

Molecular Formula

C14H12N2OS (C14 H12 N2 OS)

Compound Name

4-(1H-1,3-benzimidazol-1-ylmethyl)-5-methyl-2-thiophenecarbaldehyde

IUPAC name

4-[(1H-13-benzodiazol-1-yl)methyl]-5-methylthiophene-2-carbaldehyde

SMILES

Cc1c(Cn2c(cccc3)c3nc2)cc(C=O)s1

InChI

InChI=1S/C14H12N2OS/c1-10-11(6-12(8-17)18-10)7-16-9-15-13-4-2-3-5-14(13)16/h2-6,8-9H,7H2,1H3

InChI Key

RJUCUCYKIWQQAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.33

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

2.684

Distribution Coefficient, logD

2.667

Water Solubility, LogSw

-2.73

Polar Surface Area

25.601

Acid Dissociation Constant (pKa)

23.46

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8017-9338 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 8017-9338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9338?
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What is the minimum amount of 8017-9338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9338
  • 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 8017-9338 available by request