G357-1841 Screening compound: {3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 3-pentanamidobenzoate

G357-1841 Screening compound: {3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 3-pentanamidobenzoate
G357-1841 Screening compound: {3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 3-pentanamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-1841
{3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}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

G357-1841

Molecular Formula

C20H21N3O4S (C20 H21 N3 O4 S)

Compound Name

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

IUPAC name

{3-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-7-yl}methyl 3-pentanamidobenzoate

SMILES

CCCCC(Nc1cccc(C(OCC(N=C2SC=C(C)N22)=CC2=O)=O)c1)=O

InChI

InChI=1S/C20H21N3O4S/c1-3-4-8-17(24)21-15-7-5-6-14(9-15)19(26)27-11-16-10-18(25)23-13(2)12-28-20(23)22-16/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,21,24)

InChI Key

IEBXMCJDAVNRJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.37

Polar Surface Area

69.865

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G357-1841 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 G357-1841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-1841?
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What is the minimum amount of G357-1841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-1841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-1841
  • 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 G357-1841 available by request