C202-0217 Screening compound: cyclohexyl 7-[4-(dimethylamino)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-0217 Screening compound: cyclohexyl 7-[4-(dimethylamino)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-0217 Screening compound: cyclohexyl 7-[4-(dimethylamino)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0217
cyclohexyl 7-[4-(dimethylamino)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

C202-0217

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1ncnn1C1c(cc2)ccc2N(C)C)=C1C(OC1CCCCC1)=O

InChI

InChI=1S/C21H27N5O2/c1-14-18(20(27)28-17-7-5-4-6-8-17)19(26-21(24-14)22-13-23-26)15-9-11-16(12-10-15)25(2)3/h9-13,17,19H,4-8H2,1-3H3,(H,22,23,24)/t19-/m0/s1

InChI Key

XWLBOBYCLLAZDG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08831132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

3.775

Water Solubility, LogSw

-4.04

Polar Surface Area

60.878

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

C202-0217 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 C202-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0217?
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What is the minimum amount of C202-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0217
  • 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 C202-0217 available by request