C202-0055 Screening compound: cyclohexyl 5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-0055 Screening compound: cyclohexyl 5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-0055 Screening compound: cyclohexyl 5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0055
cyclohexyl 5-methyl-7-(4-nitrophenyl)-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

C202-0055

Molecular Formula

C19H21N5O4 (C19 H21 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1ncnn1C1c(cc2)ccc2[N+]([O-])=O)=C1C(OC1CCCCC1)=O

InChI

InChI=1S/C19H21N5O4/c1-12-16(18(25)28-15-5-3-2-4-6-15)17(23-19(22-12)20-11-21-23)13-7-9-14(10-8-13)24(26)27/h7-11,15,17H,2-6H2,1H3,(H,20,21,22)/t17-/m0/s1

InChI Key

RXJHARGYBPCNTP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08831135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.913

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-3.86

Polar Surface Area

91.455

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

C202-0055 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 C202-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0055?
Check Price and Availability of C202-0055, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C202-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0055
  • 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 C202-0055 available by request