G357-4816 Screening compound: {2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 2-methyl-3-pentanamidobenzoate

G357-4816 Screening compound: {2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 2-methyl-3-pentanamidobenzoate
G357-4816 Screening compound: {2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 2-methyl-3-pentanamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-4816
{2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl 2-methyl-3-pentanamidobenzoate

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

G357-4816

Molecular Formula

C21H23N3O5 (C21 H23 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(Nc1cccc(C(OCC(N=C2N3OC(C)=C2)=CC3=O)=O)c1C)=O

InChI

InChI=1S/C21H23N3O5/c1-4-5-9-19(25)23-17-8-6-7-16(14(17)3)21(27)28-12-15-11-20(26)24-18(22-15)10-13(2)29-24/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,23,25)

InChI Key

GIIFPXLKHZUMKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27137352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.244

Distribution Coefficient, logD

2.244

Water Solubility, LogSw

-3.09

Polar Surface Area

82.011

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

G357-4816 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 G357-4816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-4816?
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What is the minimum amount of G357-4816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-4816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-4816
  • 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 G357-4816 available by request