C202-2267 Screening compound: ethyl 7-(2,3-dimethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-2267 Screening compound: ethyl 7-(2,3-dimethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-2267 Screening compound: ethyl 7-(2,3-dimethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2267
ethyl 7-(2,3-dimethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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

C202-2267

Molecular Formula

C23H32N4O4S (C23 H32 N4 O4 S)

Compound Name

ethyl 7-(2,3-dimethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 7-(23-dimethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCCCCCSc1nn(C(c(cccc2OC)c2OC)C(C(OCC)=O)=C(C)N2)c2n1

InChI

InChI=1S/C23H32N4O4S/c1-6-8-9-10-14-32-23-25-22-24-15(3)18(21(28)31-7-2)19(27(22)26-23)16-12-11-13-17(29-4)20(16)30-5/h11-13,19H,6-10,14H2,1-5H3,(H,24,25,26)/t19-/m0/s1

InChI Key

MCPQEWYRBLFZGU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14730871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.871

Distribution Coefficient, logD

5.702

Water Solubility, LogSw

-5.21

Polar Surface Area

71.872

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with C202-2267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2267?
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What is the minimum amount of C202-2267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2267
  • 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 C202-2267 available by request