G265-0698 Screening compound: [5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl cyclohexanecarboxylate

G265-0698 Screening compound: [5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl cyclohexanecarboxylate
G265-0698 Screening compound: [5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl cyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G265-0698
[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl cyclohexanecarboxylate

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

G265-0698

Molecular Formula

C17H17N3O3S2 (C17 H17 N3 O3 S2)

Compound Name

[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl cyclohexanecarboxylate

IUPAC name

[5-oxo-2-(thiophen-2-yl)-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl cyclohexanecarboxylate

SMILES

O=C(C1CCCCC1)OCC(N=C1SC(c2cccs2)=NN11)=CC1=O

InChI

InChI=1S/C17H17N3O3S2/c21-14-9-12(10-23-16(22)11-5-2-1-3-6-11)18-17-20(14)19-15(25-17)13-7-4-8-24-13/h4,7-9,11H,1-3,5-6,10H2

InChI Key

YNBQCHWLHMJHOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14991529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.597

Distribution Coefficient, logD

3.597

Water Solubility, LogSw

-3.67

Polar Surface Area

60.339

Acid Dissociation Constant (pKa)

22.38

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G265-0698 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 G265-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G265-0698?
Check Price and Availability of G265-0698, 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 G265-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G265-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G265-0698
  • 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 G265-0698 available by request