C202-2829 Screening compound: 7-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C202-2829 Screening compound: 7-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C202-2829 Screening compound: 7-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2829
7-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-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

C202-2829

Molecular Formula

C30H31N5O3S (C30 H31 N5 O3 S)

Compound Name

7-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

7-(34-dimethoxyphenyl)-2-{[(24-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-phenyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

Cc1cc(C)c(CSc2nn(C(c(cc3)cc(OC)c3OC)C(C(Nc3ccccc3)=O)=C(C)N3)c3n2)cc1

InChI

InChI=1S/C30H31N5O3S/c1-18-11-12-22(19(2)15-18)17-39-30-33-29-31-20(3)26(28(36)32-23-9-7-6-8-10-23)27(35(29)34-30)21-13-14-24(37-4)25(16-21)38-5/h6-16,27H,17H2,1-5H3,(H,32,36)(H,31,33,34)/t27-/m0/s1

InChI Key

LYPHYVMMGWMNHK-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14731296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.124

Distribution Coefficient, logD

6.123

Water Solubility, LogSw

-5.43

Polar Surface Area

73.851

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with C202-2829 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C202-2829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2829
  • 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 C202-2829 available by request