G357-1094 Screening compound: {2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 3-pentanamidobenzoate

G357-1094 Screening compound: {2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 3-pentanamidobenzoate
G357-1094 Screening compound: {2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 3-pentanamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-1094
{2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[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

G357-1094

Molecular Formula

C22H26N4O4S (C22 H26 N4 O4 S)

Compound Name

{2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 3-pentanamidobenzoate

IUPAC name

{2-butyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methyl 3-pentanamidobenzoate

SMILES

CCCCC(Nc1cccc(C(OCC(N=C2SC(CCCC)=NN22)=CC2=O)=O)c1)=O

InChI

InChI=1S/C22H26N4O4S/c1-3-5-10-18(27)23-16-9-7-8-15(12-16)21(29)30-14-17-13-20(28)26-22(24-17)31-19(25-26)11-6-4-2/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,23,27)

InChI Key

KNSVGJUIAXGORW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.576

Water Solubility, LogSw

-4.51

Polar Surface Area

82.453

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G357-1094 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G357-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-1094?
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What is the minimum amount of G357-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-1094
  • 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 G357-1094 available by request