C368-0098 Screening compound: 5-amino-N-(5-chloro-2-methoxyphenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

C368-0098 Screening compound: 5-amino-N-(5-chloro-2-methoxyphenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
C368-0098 Screening compound: 5-amino-N-(5-chloro-2-methoxyphenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0098
5-amino-N-(5-chloro-2-methoxyphenyl)-1-{[(2-methylphenyl)carbamoyl]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

C368-0098

Molecular Formula

C19H19ClN6O3 (C19 H19 ClN6 O3)

Compound Name

5-amino-N-(5-chloro-2-methoxyphenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-N-(5-chloro-2-methoxyphenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc(cccc1)c1NC(Cn1nnc(C(Nc(cc(cc2)Cl)c2OC)=O)c1N)=O

InChI

InChI=1S/C19H19ClN6O3/c1-11-5-3-4-6-13(11)22-16(27)10-26-18(21)17(24-25-26)19(28)23-14-9-12(20)7-8-15(14)29-2/h3-9H,10,21H2,1-2H3,(H,22,27)(H,23,28)

InChI Key

YMKDWYOWPBFHDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-2.95

Polar Surface Area

98.672

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C368-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0098?
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What is the minimum amount of C368-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0098
  • 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 C368-0098 available by request