Y041-6185 Screening compound: N~5~-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-5-carboxamide

Y041-6185 Screening compound: N~5~-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-5-carboxamide
Y041-6185 Screening compound: N~5~-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6185
N~5~-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-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

Y041-6185

Molecular Formula

C16H11F3N6O (C16 H11 F3 N6 O)

Compound Name

N~5~-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-5-carboxamide

IUPAC name

n/a

SMILES

O=C(c(cc1)cc2c1[nH]c(C(F)(F)F)n2)NCc1nnc2n1cccc2

InChI

InChI=1S/C16H11F3N6O/c17-16(18,19)15-21-10-5-4-9(7-11(10)22-15)14(26)20-8-13-24-23-12-3-1-2-6-25(12)13/h1-7H,8H2,(H,20,26)(H,21,22)

InChI Key

IVMLRRSRMVAUNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.237

Distribution Coefficient, logD

0.657

Water Solubility, LogSw

-2.05

Polar Surface Area

66.529

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with Y041-6185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6185?
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What is the minimum amount of Y041-6185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6185
  • 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 Y041-6185 available by request