C200-5474 Screening compound: N-(3-chlorophenyl)-1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazole-4-carboxamide

C200-5474 Screening compound: N-(3-chlorophenyl)-1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazole-4-carboxamide
C200-5474 Screening compound: N-(3-chlorophenyl)-1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5474
N-(3-chlorophenyl)-1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-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

C200-5474

Molecular Formula

C21H17Cl2N5O2 (C21 H17 Cl2 N5 O2)

Compound Name

N-(3-chlorophenyl)-1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(3-chlorophenyl)-1-{[2-(4-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}-5-methyl-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc2cccc(Cl)c2)=O)nnn1Cc1c(C)oc(-c(cc2)ccc2Cl)n1

InChI

InChI=1S/C21H17Cl2N5O2/c1-12-19(20(29)24-17-5-3-4-16(23)10-17)26-27-28(12)11-18-13(2)30-21(25-18)14-6-8-15(22)9-7-14/h3-10H,11H2,1-2H3,(H,24,29)

InChI Key

KQBHXRKFATWQEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

4.683

Water Solubility, LogSw

-4.79

Polar Surface Area

68.159

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C200-5474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5474?
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What is the minimum amount of C200-5474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5474
  • 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 C200-5474 available by request