C656-0268 Screening compound: ethyl 2-(2-{3-[(4-chlorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)acetate

C656-0268 Screening compound: ethyl 2-(2-{3-[(4-chlorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)acetate
C656-0268 Screening compound: ethyl 2-(2-{3-[(4-chlorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0268
ethyl 2-(2-{3-[(4-chlorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)acetate

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

C656-0268

Molecular Formula

C17H17ClN6O4 (C17 H17 ClN6 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CNC(CN(C=Nc1c2nnn1Cc(cc1)ccc1Cl)C2=O)=O)=O

InChI

InChI=1S/C17H17ClN6O4/c1-2-28-14(26)7-19-13(25)9-23-10-20-16-15(17(23)27)21-22-24(16)8-11-3-5-12(18)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,19,25)

InChI Key

ZAIFLGSQSLPDAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.81

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.780

Distribution Coefficient, logD

0.780

Water Solubility, LogSw

-2.53

Polar Surface Area

97.924

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C656-0268 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C656-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0268?
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What is the minimum amount of C656-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0268
  • 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 C656-0268 available by request