G357-1598 Screening compound: {5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 3-cyclohexaneamidobenzoate

G357-1598 Screening compound: {5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 3-cyclohexaneamidobenzoate
G357-1598 Screening compound: {5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 3-cyclohexaneamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-1598
{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 3-cyclohexaneamidobenzoate

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

G357-1598

Molecular Formula

C21H21N3O4S (C21 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCCC1)Nc1cccc(C(OCC(N=C2SC=CN22)=CC2=O)=O)c1

InChI

InChI=1S/C21H21N3O4S/c25-18-12-17(23-21-24(18)9-10-29-21)13-28-20(27)15-7-4-8-16(11-15)22-19(26)14-5-2-1-3-6-14/h4,7-12,14H,1-3,5-6,13H2,(H,22,26)

InChI Key

PMNLVGLNTQSGNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.33

Polar Surface Area

70.335

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with G357-1598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-1598?
Check Price and Availability of G357-1598, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G357-1598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-1598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-1598
  • 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 G357-1598 available by request