G357-4808 Screening compound: {2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 3-(furan-2-amido)-2-methylbenzoate

G357-4808 Screening compound: {2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 3-(furan-2-amido)-2-methylbenzoate
G357-4808 Screening compound: {2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 3-(furan-2-amido)-2-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-4808
{2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 3-(furan-2-amido)-2-methylbenzoate

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

G357-4808

Molecular Formula

C21H17N3O6 (C21 H17 N3 O6)

Compound Name

{2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 3-(furan-2-amido)-2-methylbenzoate

IUPAC name

{2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl 3-(furan-2-amido)-2-methylbenzoate

SMILES

CC(ON12)=CC2=NC(COC(c2c(C)c(NC(c3ccco3)=O)ccc2)=O)=CC1=O

InChI

InChI=1S/C21H17N3O6/c1-12-9-18-22-14(10-19(25)24(18)30-12)11-29-21(27)15-5-3-6-16(13(15)2)23-20(26)17-7-4-8-28-17/h3-10H,11H2,1-2H3,(H,23,26)

InChI Key

VCCXQUTUKVFTNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27137345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.027

Distribution Coefficient, logD

2.026

Water Solubility, LogSw

-2.76

Polar Surface Area

90.531

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G357-4808 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 G357-4808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-4808?
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What is the minimum amount of G357-4808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-4808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-4808
  • 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 G357-4808 available by request