3230-0963 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

3230-0963 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
3230-0963 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3230-0963
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}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

3230-0963

Molecular Formula

C24H18FN3O4S2 (C24 H18 FN3 O4 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H4H-thieno[23-d]pyrimidin-2-yl]sulfanyl}acetamide

SMILES

C=CCN1C(SCC(Nc(cc2)cc3c2OCO3)=O)=Nc(scc2-c(cc3)ccc3F)c2C1=O

InChI

InChI=1S/C24H18FN3O4S2/c1-2-9-28-23(30)21-17(14-3-5-15(25)6-4-14)11-33-22(21)27-24(28)34-12-20(29)26-16-7-8-18-19(10-16)32-13-31-18/h2-8,10-11H,1,9,12-13H2,(H,26,29)

InChI Key

CHBKEUWDXSYZJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01917542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.769

Distribution Coefficient, logD

4.769

Water Solubility, LogSw

-4.88

Polar Surface Area

65.917

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3230-0963 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 3230-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3230-0963?
Check Price and Availability of 3230-0963, 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 3230-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3230-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3230-0963
  • 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 3230-0963 available by request