8576-1478 Screening compound: 2-{[(4-chlorophenyl)sulfonyl]methyl}-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one

8576-1478 Screening compound: 2-{[(4-chlorophenyl)sulfonyl]methyl}-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one
8576-1478 Screening compound: 2-{[(4-chlorophenyl)sulfonyl]methyl}-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8576-1478
2-{[(4-chlorophenyl)sulfonyl]methyl}-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one

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

8576-1478

Molecular Formula

C15H13ClN2O3S2 (C15 H13 ClN2 O3 S2)

Compound Name

2-{[(4-chlorophenyl)sulfonyl]methyl}-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

n/a

SMILES

CCc1cc(C(NC(CS(c(cc2)ccc2Cl)(=O)=O)=N2)=O)c2s1

InChI

InChI=1S/C15H13ClN2O3S2/c1-2-10-7-12-14(19)17-13(18-15(12)22-10)8-23(20,21)11-5-3-9(16)4-6-11/h3-7H,2,8H2,1H3,(H,17,18,19)

InChI Key

JWVXJRZABAJJCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07759684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.945

Distribution Coefficient, logD

2.944

Water Solubility, LogSw

-3.63

Polar Surface Area

63.839

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8576-1478 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8576-1478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8576-1478?
Check Price and Availability of 8576-1478, 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 8576-1478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8576-1478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8576-1478
  • 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 8576-1478 available by request