C202-2446 Screening compound: 4-(2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid

C202-2446 Screening compound: 4-(2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
C202-2446 Screening compound: 4-(2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2446
4-(2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid

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

C202-2446

Molecular Formula

C30H29N5O4S (C30 H29 N5 O4 S)

Compound Name

4-(2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid

IUPAC name

4-(2-{[(24-dimethylphenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4H7H-[124]triazolo[15-a]pyrimidin-7-yl)benzoic acid

SMILES

Cc1cc(C)c(CSc2nn(C(c(cc3)ccc3C(O)=O)C(C(Nc(cc3)ccc3OC)=O)=C(C)N3)c3n2)cc1

InChI

InChI=1S/C30H29N5O4S/c1-17-5-6-22(18(2)15-17)16-40-30-33-29-31-19(3)25(27(36)32-23-11-13-24(39-4)14-12-23)26(35(29)34-30)20-7-9-21(10-8-20)28(37)38/h5-15,26H,16H2,1-4H3,(H,32,36)(H,37,38)(H,31,33,34)/t26-/m0/s1

InChI Key

PLSLMMGCTJEXTN-SANMLTNESA-N

MDL Number (MFCD)

MFCD14731004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.484

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-5.51

Polar Surface Area

94.543

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C202-2446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2446?
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What is the minimum amount of C202-2446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2446
  • 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 C202-2446 available by request