F802-0113 Screening compound: methyl 4-{2-[2-(ethylsulfanyl)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate

F802-0113 Screening compound: methyl 4-{2-[2-(ethylsulfanyl)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate
F802-0113 Screening compound: methyl 4-{2-[2-(ethylsulfanyl)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F802-0113
methyl 4-{2-[2-(ethylsulfanyl)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate

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

F802-0113

Molecular Formula

C17H16N4O4S2 (C17 H16 N4 O4 S2)

Compound Name

methyl 4-{2-[2-(ethylsulfanyl)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[2-(ethylsulfanyl)-7-oxo-6H7H-[13]thiazolo[45-d]pyrimidin-6-yl]acetamido}benzoate

SMILES

CCSc1nc(N=CN(CC(Nc(cc2)ccc2C(OC)=O)=O)C2=O)c2s1

InChI

InChI=1S/C17H16N4O4S2/c1-3-26-17-20-14-13(27-17)15(23)21(9-18-14)8-12(22)19-11-6-4-10(5-7-11)16(24)25-2/h4-7,9H,3,8H2,1-2H3,(H,19,22)

InChI Key

NFNYUPCKUQHYGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14967075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

3.129

Water Solubility, LogSw

-3.35

Polar Surface Area

80.604

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with F802-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F802-0113?
Check Price and Availability of F802-0113, 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 F802-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F802-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F802-0113
  • 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 F802-0113 available by request