4112-4183 Screening compound: ethyl 4-(4-methylphenyl)-2-({2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate

4112-4183 Screening compound: ethyl 4-(4-methylphenyl)-2-({2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate
4112-4183 Screening compound: ethyl 4-(4-methylphenyl)-2-({2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-4183
ethyl 4-(4-methylphenyl)-2-({2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate

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

4112-4183

Molecular Formula

C31H27N3O4S3 (C31 H27 N3 O4 S3)

Compound Name

ethyl 4-(4-methylphenyl)-2-({2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate

IUPAC name

ethyl 4-(4-methylphenyl)-2-[2-({12-oxo-11-phenyl-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-10-yl}sulfanyl)acetamido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSC(N2c3ccccc3)=Nc(sc3c4CCC3)c4C2=O)=O)scc1-c1ccc(C)cc1)=O

InChI

InChI=1S/C31H27N3O4S3/c1-3-38-30(37)26-22(19-14-12-18(2)13-15-19)16-39-27(26)32-24(35)17-40-31-33-28-25(21-10-7-11-23(21)41-28)29(36)34(31)20-8-5-4-6-9-20/h4-6,8-9,12-16H,3,7,10-11,17H2,1-2H3,(H,32,35)

InChI Key

BUACAYLYSBPQFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02330450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

601.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.533

Distribution Coefficient, logD

6.527

Water Solubility, LogSw

-5.68

Polar Surface Area

68.774

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

4112-4183 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 4112-4183 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4112-4183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-4183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-4183
  • 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 4112-4183 available by request