C202-1495 Screening compound: cyclohexyl 7-[4-(methoxycarbonyl)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-1495 Screening compound: cyclohexyl 7-[4-(methoxycarbonyl)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-1495 Screening compound: cyclohexyl 7-[4-(methoxycarbonyl)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1495
cyclohexyl 7-[4-(methoxycarbonyl)phenyl]-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

C202-1495

Molecular Formula

C21H24N4O4 (C21 H24 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1ncnn1C1c(cc2)ccc2C(OC)=O)=C1C(OC1CCCCC1)=O

InChI

InChI=1S/C21H24N4O4/c1-13-17(20(27)29-16-6-4-3-5-7-16)18(25-21(24-13)22-12-23-25)14-8-10-15(11-9-14)19(26)28-2/h8-12,16,18H,3-7H2,1-2H3,(H,22,23,24)/t18-/m0/s1

InChI Key

RFGLSMOARKZCIA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08831139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-4.15

Polar Surface Area

79.248

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C202-1495 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C202-1495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1495?
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What is the minimum amount of C202-1495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1495
  • 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 C202-1495 available by request