8017-7813 Screening compound: N~5~-(4-fluorobenzyl)-3-{[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide

8017-7813 Screening compound: N~5~-(4-fluorobenzyl)-3-{[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide
8017-7813 Screening compound: N~5~-(4-fluorobenzyl)-3-{[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7813
N~5~-(4-fluorobenzyl)-3-{[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-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

8017-7813

Molecular Formula

C19H13F4N5O2 (C19 H13 F4 N5 O2)

Compound Name

N~5~-(4-fluorobenzyl)-3-{[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-3-{[2-(trifluoromethyl)-1H-13-benzodiazol-1-yl]methyl}-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(Cn2c(cccc3)c3nc2C(F)(F)F)no1)NCc(cc1)ccc1F

InChI

InChI=1S/C19H13F4N5O2/c20-12-7-5-11(6-8-12)9-24-16(29)17-26-15(27-30-17)10-28-14-4-2-1-3-13(14)25-18(28)19(21,22)23/h1-8H,9-10H2,(H,24,29)

InChI Key

JGOHCZFJWJFTPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.534

Distribution Coefficient, logD

3.534

Water Solubility, LogSw

-3.61

Polar Surface Area

67.520

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

References: we are preparing a list of scientific research reports with 8017-7813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7813?
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What is the minimum amount of 8017-7813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7813
  • 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 8017-7813 available by request