4112-0723 Screening compound: 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-(4-fluorophenyl)acetamide

4112-0723 Screening compound: 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-(4-fluorophenyl)acetamide
4112-0723 Screening compound: 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-0723
2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-(4-fluorophenyl)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

4112-0723

Molecular Formula

C17H14FN3OS2 (C17 H14 FN3 OS2)

Compound Name

2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-(4-fluorophenyl)acetamide

IUPAC name

N-(4-fluorophenyl)-2-{7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)911-tetraen-12-ylsulfanyl}acetamide

SMILES

O=C(CSc1c(c(CCC2)c2s2)c2ncn1)Nc(cc1)ccc1F

InChI

InChI=1S/C17H14FN3OS2/c18-10-4-6-11(7-5-10)21-14(22)8-23-16-15-12-2-1-3-13(12)24-17(15)20-9-19-16/h4-7,9H,1-3,8H2,(H,21,22)

InChI Key

GIXSHWSOHUJCQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02328252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.047

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.39

Polar Surface Area

44.449

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

4112-0723 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 4112-0723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-0723?
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What is the minimum amount of 4112-0723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-0723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-0723
  • 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 4112-0723 available by request