4112-4289 Screening compound: 2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

4112-4289 Screening compound: 2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
4112-4289 Screening compound: 2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-4289
2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]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

4112-4289

Molecular Formula

C24H17F4N3O2S2 (C24 H17 F4 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

C=CCN1C(SCC(Nc2cc(C(F)(F)F)ccc2)=O)=Nc(scc2-c(cc3)ccc3F)c2C1=O

InChI

InChI=1S/C24H17F4N3O2S2/c1-2-10-31-22(33)20-18(14-6-8-16(25)9-7-14)12-34-21(20)30-23(31)35-13-19(32)29-17-5-3-4-15(11-17)24(26,27)28/h2-9,11-12H,1,10,13H2,(H,29,32)

InChI Key

BVGSWWIXPICCCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02330553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.979

Distribution Coefficient, logD

5.979

Water Solubility, LogSw

-6.13

Polar Surface Area

48.801

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4112-4289 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4112-4289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-4289?
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What is the minimum amount of 4112-4289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-4289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-4289
  • 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 4112-4289 available by request