C202-0585 Screening compound: heptyl 7-(4-hydroxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-0585 Screening compound: heptyl 7-(4-hydroxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-0585 Screening compound: heptyl 7-(4-hydroxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0585
heptyl 7-(4-hydroxyphenyl)-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

C202-0585

Molecular Formula

C20H26N4O3 (C20 H26 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCOC(C1=C(C)Nc2ncnn2C1c(cc1)ccc1O)=O

InChI

InChI=1S/C20H26N4O3/c1-3-4-5-6-7-12-27-19(26)17-14(2)23-20-21-13-22-24(20)18(17)15-8-10-16(25)11-9-15/h8-11,13,18,25H,3-7,12H2,1-2H3,(H,21,22,23)/t18-/m0/s1

InChI Key

UJQUYNFLZQOZQQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14730075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.337

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.11

Polar Surface Area

76.655

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with C202-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0585?
Check Price and Availability of C202-0585, 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 C202-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0585
  • 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 C202-0585 available by request