E939-0275 Screening compound: 3-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-N-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

E939-0275 Screening compound: 3-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-N-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
E939-0275 Screening compound: 3-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-N-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E939-0275
3-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-N-methyl-[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

E939-0275

Molecular Formula

C17H13ClN4O2 (C17 H13 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(Cc1ccco1)c1c(c(-c(cc2)ccc2Cl)no2)c2ncn1

InChI

InChI=1S/C17H13ClN4O2/c1-22(9-13-3-2-8-23-13)16-14-15(11-4-6-12(18)7-5-11)21-24-17(14)20-10-19-16/h2-8,10H,9H2,1H3

InChI Key

DTRMCGNJXIRIKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.932

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-4.47

Polar Surface Area

52.786

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E939-0275 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E939-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E939-0275?
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What is the minimum amount of E939-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E939-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E939-0275
  • 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 E939-0275 available by request