G357-4912 Screening compound: {2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 4-chloro-3-acetamidobenzoate

G357-4912 Screening compound: {2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 4-chloro-3-acetamidobenzoate
G357-4912 Screening compound: {2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 4-chloro-3-acetamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-4912
{2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 4-chloro-3-acetamidobenzoate

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

G357-4912

Molecular Formula

C17H14ClN3O5 (C17 H14 ClN3 O5)

Compound Name

{2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 4-chloro-3-acetamidobenzoate

IUPAC name

{2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl 4-chloro-3-acetamidobenzoate

SMILES

CC(Nc(cc(cc1)C(OCC(N=C2N3OC(C)=C2)=CC3=O)=O)c1Cl)=O

InChI

InChI=1S/C17H14ClN3O5/c1-9-5-15-20-12(7-16(23)21(15)26-9)8-25-17(24)11-3-4-13(18)14(6-11)19-10(2)22/h3-7H,8H2,1-2H3,(H,19,22)

InChI Key

OTBQGPWFOOVMEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27137395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.213

Distribution Coefficient, logD

1.212

Water Solubility, LogSw

-2.65

Polar Surface Area

82.124

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G357-4912 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 G357-4912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-4912?
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What is the minimum amount of G357-4912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-4912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-4912
  • 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 G357-4912 available by request