3473-0098 Screening compound: ethyl 2-[(phenylcarbamothioyl)amino]-6-(2-phenylethyl)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

3473-0098 Screening compound: ethyl 2-[(phenylcarbamothioyl)amino]-6-(2-phenylethyl)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
3473-0098 Screening compound: ethyl 2-[(phenylcarbamothioyl)amino]-6-(2-phenylethyl)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3473-0098
ethyl 2-[(phenylcarbamothioyl)amino]-6-(2-phenylethyl)-4H,5H,6H,7H-thieno[2,3-c]pyridine-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

3473-0098

Molecular Formula

C25H27N3O2S2 (C25 H27 N3 O2 S2)

Compound Name

ethyl 2-[(phenylcarbamothioyl)amino]-6-(2-phenylethyl)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

IUPAC name

ethyl 2-[(phenylcarbamothioyl)amino]-6-(2-phenylethyl)-4H5H6H7H-thieno[23-c]pyridine-3-carboxylate

SMILES

CCOC(c1c(NC(Nc2ccccc2)=S)sc2c1CCN(CCc1ccccc1)C2)=O

InChI

InChI=1S/C25H27N3O2S2/c1-2-30-24(29)22-20-14-16-28(15-13-18-9-5-3-6-10-18)17-21(20)32-23(22)27-25(31)26-19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3,(H2,26,27,31)

InChI Key

NZDPZXCOAQRBSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01560305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.414

Distribution Coefficient, logD

4.636

Water Solubility, LogSw

-5.43

Polar Surface Area

42.982

Acid Dissociation Constant (pKa)

6.70

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

3473-0098 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3473-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3473-0098?
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What is the minimum amount of 3473-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3473-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3473-0098
  • 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 3473-0098 available by request