E939-0245 Screening compound: 3-(4-chlorophenyl)-N-(2-methylcyclohexyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

E939-0245 Screening compound: 3-(4-chlorophenyl)-N-(2-methylcyclohexyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
E939-0245 Screening compound: 3-(4-chlorophenyl)-N-(2-methylcyclohexyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E939-0245
3-(4-chlorophenyl)-N-(2-methylcyclohexyl)-[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

E939-0245

Molecular Formula

C18H19ClN4O (C18 H19 ClN4 O)

Compound Name

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

IUPAC name

3-(4-chlorophenyl)-N-(2-methylcyclohexyl)-[12]oxazolo[54-d]pyrimidin-4-amine

SMILES

CC(CCCC1)C1Nc1c(c(-c(cc2)ccc2Cl)no2)c2ncn1

InChI

InChI=1S/C18H19ClN4O/c1-11-4-2-3-5-14(11)22-17-15-16(12-6-8-13(19)9-7-12)23-24-18(15)21-10-20-17/h6-11,14H,2-5H2,1H3,(H,20,21,22)

InChI Key

JVNHZYPRXZKLQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.83

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

4.932

Distribution Coefficient, logD

4.932

Water Solubility, LogSw

-5.21

Polar Surface Area

53.139

Acid Dissociation Constant (pKa)

18.67

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.90

E939-0245 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E939-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E939-0245?
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What is the minimum amount of E939-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E939-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E939-0245
  • 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 E939-0245 available by request