3237-0632 Screening compound: ETHYL 4-PHENYL-2-(3-PHENYLPROP-2-YNAMIDO)THIOPHENE-3-CARBOXYLATE

3237-0632 Screening compound: ETHYL 4-PHENYL-2-(3-PHENYLPROP-2-YNAMIDO)THIOPHENE-3-CARBOXYLATE
3237-0632 Screening compound: ETHYL 4-PHENYL-2-(3-PHENYLPROP-2-YNAMIDO)THIOPHENE-3-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0632
ETHYL 4-PHENYL-2-(3-PHENYLPROP-2-YNAMIDO)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

3237-0632

Molecular Formula

C22H17NO3S (C22 H17 NO3 S)

Compound Name

ETHYL 4-PHENYL-2-(3-PHENYLPROP-2-YNAMIDO)THIOPHENE-3-CARBOXYLATE

IUPAC name

n/a

SMILES

CCOC(c1c(NC(C#Cc2ccccc2)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C22H17NO3S/c1-2-26-22(25)20-18(17-11-7-4-8-12-17)15-27-21(20)23-19(24)14-13-16-9-5-3-6-10-16/h3-12,15H,2H2,1H3,(H,23,24)

InChI Key

SHFFSVCQZJQXRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.490

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-5.56

Polar Surface Area

43.393

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-12.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3237-0632 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3237-0632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0632?
Check Price and Availability of 3237-0632, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3237-0632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0632
  • 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 3237-0632 available by request