C656-0491 Screening compound: methyl 4-{2-[3-(3-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate

C656-0491 Screening compound: methyl 4-{2-[3-(3-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate
C656-0491 Screening compound: methyl 4-{2-[3-(3-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0491
methyl 4-{2-[3-(3-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate

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

C656-0491

Molecular Formula

C20H15ClN6O4 (C20 H15 ClN6 O4)

Compound Name

methyl 4-{2-[3-(3-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[3-(3-chlorophenyl)-7-oxo-3H6H7H-[123]triazolo[45-d]pyrimidin-6-yl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CN(C=Nc1c2nnn1-c1cccc(Cl)c1)C2=O)=O)=O

InChI

InChI=1S/C20H15ClN6O4/c1-31-20(30)12-5-7-14(8-6-12)23-16(28)10-26-11-22-18-17(19(26)29)24-25-27(18)15-4-2-3-13(21)9-15/h2-9,11H,10H2,1H3,(H,23,28)

InChI Key

HGVRGDNFTKGSDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.83

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.618

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-3.53

Polar Surface Area

97.481

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C656-0491 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C656-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0491?
Check Price and Availability of C656-0491, 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 C656-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0491
  • 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 C656-0491 available by request