C660-0688 Screening compound: 3-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C660-0688 Screening compound: 3-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
C660-0688 Screening compound: 3-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0688
3-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

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

C660-0688

Molecular Formula

C19H21ClN4O (C19 H21 ClN4 O)

Compound Name

3-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

IUPAC name

3-(4-chlorophenyl)-N-(23-dimethylcyclohexyl)-[12]oxazolo[54-d]pyrimidin-4-amine

SMILES

CC(CCC1)C(C)C1Nc1c(c(-c(cc2)ccc2Cl)no2)c2ncn1

InChI

InChI=1S/C19H21ClN4O/c1-11-4-3-5-15(12(11)2)23-18-16-17(13-6-8-14(20)9-7-13)24-25-19(16)22-10-21-18/h6-12,15H,3-5H2,1-2H3,(H,21,22,23)

InChI Key

YCRKMQVISTTYNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.706

Distribution Coefficient, logD

4.706

Water Solubility, LogSw

-5.00

Polar Surface Area

53.139

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.10

C660-0688 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C660-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0688?
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What is the minimum amount of C660-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0688
  • 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 C660-0688 available by request