C202-1494 Screening compound: cyclohexyl 7-(4-ethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-1494 Screening compound: cyclohexyl 7-(4-ethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-1494 Screening compound: cyclohexyl 7-(4-ethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1494
cyclohexyl 7-(4-ethoxyphenyl)-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

C202-1494

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

cyclohexyl 7-(4-ethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

cyclohexyl 7-(4-ethoxyphenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOc1ccc(C2n3ncnc3NC(C)=C2C(OC2CCCCC2)=O)cc1

InChI

InChI=1S/C21H26N4O3/c1-3-27-16-11-9-15(10-12-16)19-18(14(2)24-21-22-13-23-25(19)21)20(26)28-17-7-5-4-6-8-17/h9-13,17,19H,3-8H2,1-2H3,(H,22,23,24)/t19-/m0/s1

InChI Key

ABQIHXPEMXMMPA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08830972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

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

4.356

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-4.08

Polar Surface Area

65.197

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

C202-1494 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-1494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1494?
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What is the minimum amount of C202-1494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1494
  • 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 C202-1494 available by request