4112-4125 Screening compound: ethyl 2-[2-({4-oxo-3,5-diphenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

4112-4125 Screening compound: ethyl 2-[2-({4-oxo-3,5-diphenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
4112-4125 Screening compound: ethyl 2-[2-({4-oxo-3,5-diphenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-4125
ethyl 2-[2-({4-oxo-3,5-diphenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

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

4112-4125

Molecular Formula

C30H25N3O4S3 (C30 H25 N3 O4 S3)

Compound Name

ethyl 2-[2-({4-oxo-3,5-diphenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[2-({4-oxo-35-diphenyl-3H4H-thieno[23-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSC(N2c3ccccc3)=Nc(scc3-c4ccccc4)c3C2=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C30H25N3O4S3/c1-2-37-29(36)25-20-14-9-15-22(20)40-27(25)31-23(34)17-39-30-32-26-24(21(16-38-26)18-10-5-3-6-11-18)28(35)33(30)19-12-7-4-8-13-19/h3-8,10-13,16H,2,9,14-15,17H2,1H3,(H,31,34)

InChI Key

ULIHPFVZGLTZPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02330394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.74

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

6.004

Distribution Coefficient, logD

4.244

Water Solubility, LogSw

-5.51

Polar Surface Area

68.774

Acid Dissociation Constant (pKa)

5.65

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4112-4125 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4112-4125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-4125?
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What is the minimum amount of 4112-4125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-4125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-4125
  • 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 4112-4125 available by request