E898-1537 Screening compound: 3-[3-(4-methylphenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide

E898-1537 Screening compound: 3-[3-(4-methylphenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
E898-1537 Screening compound: 3-[3-(4-methylphenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E898-1537
3-[3-(4-methylphenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide

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

E898-1537

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

3-[3-(4-methylphenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide

IUPAC name

3-[3-(4-methylphenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide

SMILES

Cc(cc1)ccc1-c1noc(N=CN2CCC(NCc(cc3)ccc3SC)=O)c1C2=O

InChI

InChI=1S/C23H22N4O3S/c1-15-3-7-17(8-4-15)21-20-22(30-26-21)25-14-27(23(20)29)12-11-19(28)24-13-16-5-9-18(31-2)10-6-16/h3-10,14H,11-13H2,1-2H3,(H,24,28)

InChI Key

KOUVZYUGZMDPSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.54

Polar Surface Area

72.152

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E898-1537 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 E898-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E898-1537?
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What is the minimum amount of E898-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E898-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E898-1537
  • 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 E898-1537 available by request