4112-4292 Screening compound: ethyl 5-phenyl-2-{[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino}-3-thiophenecarboxylate

4112-4292 Screening compound: ethyl 5-phenyl-2-{[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino}-3-thiophenecarboxylate
4112-4292 Screening compound: ethyl 5-phenyl-2-{[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino}-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-4292
ethyl 5-phenyl-2-{[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)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

4112-4292

Molecular Formula

C25H23N3O3S3 (C25 H23 N3 O3 S3)

Compound Name

ethyl 5-phenyl-2-{[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino}-3-thiophenecarboxylate

IUPAC name

ethyl 5-phenyl-2-(2-{8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-ylsulfanyl}acetamido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2ncnc3c2c(CCCC2)c2s3)=O)sc(-c2ccccc2)c1)=O

InChI

InChI=1S/C25H23N3O3S3/c1-2-31-25(30)17-12-19(15-8-4-3-5-9-15)34-22(17)28-20(29)13-32-23-21-16-10-6-7-11-18(16)33-24(21)27-14-26-23/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3,(H,28,29)

InChI Key

MIXHHIFZLLIIDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02330556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.416

Distribution Coefficient, logD

6.404

Water Solubility, LogSw

-5.84

Polar Surface Area

64.359

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 4112-4292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-4292?
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What is the minimum amount of 4112-4292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-4292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-4292
  • 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 4112-4292 available by request