8016-9929 Screening compound: 4,5-dibromo-N~2~-[2-(trifluoromethyl)-1H-1,3-benzimidazol-4-yl]-2-thiophenecarboxamide

8016-9929 Screening compound: 4,5-dibromo-N~2~-[2-(trifluoromethyl)-1H-1,3-benzimidazol-4-yl]-2-thiophenecarboxamide
8016-9929 Screening compound: 4,5-dibromo-N~2~-[2-(trifluoromethyl)-1H-1,3-benzimidazol-4-yl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9929
4,5-dibromo-N~2~-[2-(trifluoromethyl)-1H-1,3-benzimidazol-4-yl]-2-thiophenecarboxamide

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

8016-9929

Molecular Formula

C13H6Br2F3N3OS (C13 H6 Br2 F3 N3 OS)

Compound Name

4,5-dibromo-N~2~-[2-(trifluoromethyl)-1H-1,3-benzimidazol-4-yl]-2-thiophenecarboxamide

IUPAC name

45-dibromo-N-[2-(trifluoromethyl)-1H-13-benzodiazol-4-yl]thiophene-2-carboxamide

SMILES

O=C(c(s1)cc(Br)c1Br)Nc1c2nc(C(F)(F)F)[nH]c2ccc1

InChI

InChI=1S/C13H6Br2F3N3OS/c14-5-4-8(23-10(5)15)11(22)19-6-2-1-3-7-9(6)21-12(20-7)13(16,17)18/h1-4H,(H,19,22)(H,20,21)

InChI Key

RTAYEWCLBVPKHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.08

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.743

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-4.84

Polar Surface Area

43.712

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8016-9929 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-9929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9929?
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What is the minimum amount of 8016-9929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9929
  • 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 8016-9929 available by request