E898-1942 Screening compound: 3-[3-(2-chloro-5-methoxyphenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide

E898-1942 Screening compound: 3-[3-(2-chloro-5-methoxyphenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide
E898-1942 Screening compound: 3-[3-(2-chloro-5-methoxyphenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E898-1942
3-[3-(2-chloro-5-methoxyphenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(3-methoxyphenyl)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

E898-1942

Molecular Formula

C23H21ClN4O5 (C23 H21 ClN4 O5)

Compound Name

3-[3-(2-chloro-5-methoxyphenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide

IUPAC name

3-[3-(2-chloro-5-methoxyphenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide

SMILES

COc1cccc(CNC(CCN(C=Nc2c3c(-c(cc(cc4)OC)c4Cl)no2)C3=O)=O)c1

InChI

InChI=1S/C23H21ClN4O5/c1-31-15-5-3-4-14(10-15)12-25-19(29)8-9-28-13-26-22-20(23(28)30)21(27-33-22)17-11-16(32-2)6-7-18(17)24/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,25,29)

InChI Key

GOSVGGJUCDMMIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-3.84

Polar Surface Area

87.239

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E898-1942 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E898-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E898-1942?
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What is the minimum amount of E898-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E898-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E898-1942
  • 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 E898-1942 available by request