C656-0246 Screening compound: 3-[(4-chlorophenyl)methyl]-6-[2-(morpholin-4-yl)-2-oxoethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C656-0246 Screening compound: 3-[(4-chlorophenyl)methyl]-6-[2-(morpholin-4-yl)-2-oxoethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
C656-0246 Screening compound: 3-[(4-chlorophenyl)methyl]-6-[2-(morpholin-4-yl)-2-oxoethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0246
3-[(4-chlorophenyl)methyl]-6-[2-(morpholin-4-yl)-2-oxoethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

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

C656-0246

Molecular Formula

C17H17ClN6O3 (C17 H17 ClN6 O3)

Compound Name

3-[(4-chlorophenyl)methyl]-6-[2-(morpholin-4-yl)-2-oxoethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

IUPAC name

3-[(4-chlorophenyl)methyl]-6-[2-(morpholin-4-yl)-2-oxoethyl]-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

O=C(CN(C=Nc1c2nnn1Cc(cc1)ccc1Cl)C2=O)N1CCOCC1

InChI

InChI=1S/C17H17ClN6O3/c18-13-3-1-12(2-4-13)9-24-16-15(20-21-24)17(26)23(11-19-16)10-14(25)22-5-7-27-8-6-22/h1-4,11H,5-10H2

InChI Key

SEQSOVZHFFSVPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.172

Distribution Coefficient, logD

0.172

Water Solubility, LogSw

-2.11

Polar Surface Area

77.323

Acid Dissociation Constant (pKa)

24.99

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C656-0246 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C656-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0246?
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What is the minimum amount of C656-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0246
  • 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 C656-0246 available by request