D443-1794 Screening compound: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

D443-1794 Screening compound: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
D443-1794 Screening compound: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D443-1794
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-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

D443-1794

Molecular Formula

C21H16ClN7O2S (C21 H16 ClN7 O2 S)

Compound Name

1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-[3-(4-chlorophenyl)-21-benzoxazol-5-yl]-N-(5-ethyl-134-thiadiazol-2-yl)-5-methyl-1H-123-triazole-4-carboxamide

SMILES

CCc1nnc(NC(c2c(C)n(-c3cc4c(-c(cc5)ccc5Cl)onc4cc3)nn2)=O)s1

InChI

InChI=1S/C21H16ClN7O2S/c1-3-17-24-26-21(32-17)23-20(30)18-11(2)29(28-25-18)14-8-9-16-15(10-14)19(31-27-16)12-4-6-13(22)7-5-12/h4-10H,3H2,1-2H3,(H,23,26,30)

InChI Key

HPZFXSRTMPSZRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09983561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.994

Distribution Coefficient, logD

4.253

Water Solubility, LogSw

-5.15

Polar Surface Area

95.696

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D443-1794 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D443-1794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D443-1794?
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What is the minimum amount of D443-1794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D443-1794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D443-1794
  • 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 D443-1794 available by request