C193-0065 Screening compound: cyclohexyl 7-(2,4-dimethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C193-0065 Screening compound: cyclohexyl 7-(2,4-dimethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C193-0065 Screening compound: cyclohexyl 7-(2,4-dimethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C193-0065
cyclohexyl 7-(2,4-dimethoxyphenyl)-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

C193-0065

Molecular Formula

C21H26N4O4 (C21 H26 N4 O4)

Compound Name

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

IUPAC name

cyclohexyl 7-(24-dimethoxyphenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CC(Nc1ncnn1C1c(ccc(OC)c2)c2OC)=C1C(OC1CCCCC1)=O

InChI

InChI=1S/C21H26N4O4/c1-13-18(20(26)29-14-7-5-4-6-8-14)19(25-21(24-13)22-12-23-25)16-10-9-15(27-2)11-17(16)28-3/h9-12,14,19H,4-8H2,1-3H3,(H,22,23,24)/t19-/m0/s1

InChI Key

FWMAWVDPOFIVDA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08830956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.073

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-4.18

Polar Surface Area

73.248

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

C193-0065 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 C193-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C193-0065?
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What is the minimum amount of C193-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C193-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C193-0065
  • 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 C193-0065 available by request