F802-0102 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[2-(ethylsulfanyl)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

F802-0102 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[2-(ethylsulfanyl)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
F802-0102 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[2-(ethylsulfanyl)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F802-0102
N-(3-chloro-4-methoxyphenyl)-2-[2-(ethylsulfanyl)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

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

F802-0102

Molecular Formula

C16H15ClN4O3S2 (C16 H15 ClN4 O3 S2)

Compound Name

N-(3-chloro-4-methoxyphenyl)-2-[2-(ethylsulfanyl)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-[2-(ethylsulfanyl)-7-oxo-6H7H-[13]thiazolo[45-d]pyrimidin-6-yl]acetamide

SMILES

CCSc1nc(N=CN(CC(Nc(cc2)cc(Cl)c2OC)=O)C2=O)c2s1

InChI

InChI=1S/C16H15ClN4O3S2/c1-3-25-16-20-14-13(26-16)15(23)21(8-18-14)7-12(22)19-9-4-5-11(24-2)10(17)6-9/h4-6,8H,3,7H2,1-2H3,(H,19,22)

InChI Key

UMDYMBCTGXBCRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14967070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-3.79

Polar Surface Area

67.061

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F802-0102 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F802-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F802-0102?
Check Price and Availability of F802-0102, 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 F802-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F802-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F802-0102
  • 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 F802-0102 available by request