D443-1697 Screening compound: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

D443-1697 Screening compound: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
D443-1697 Screening compound: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D443-1697
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-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

D443-1697

Molecular Formula

C24H15ClF3N5O2 (C24 H15 ClF3 N5 O2)

Compound Name

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

IUPAC name

1-[3-(4-chlorophenyl)-21-benzoxazol-5-yl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc2cc(C(F)(F)F)ccc2)=O)nnn1-c1cc2c(-c(cc3)ccc3Cl)onc2cc1

InChI

InChI=1S/C24H15ClF3N5O2/c1-13-21(23(34)29-17-4-2-3-15(11-17)24(26,27)28)30-32-33(13)18-9-10-20-19(12-18)22(35-31-20)14-5-7-16(25)8-6-14/h2-12H,1H3,(H,29,34)

InChI Key

OECWCSWSLXZWDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10082098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.86

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

6.347

Distribution Coefficient, logD

6.330

Water Solubility, LogSw

-6.47

Polar Surface Area

71.656

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with D443-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D443-1697?
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What is the minimum amount of D443-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D443-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D443-1697
  • 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 D443-1697 available by request