D731-0135 Screening compound: ethyl 5-amino-6-cyano-2-[(4-fluorophenyl)amino]-7-phenylthieno[3,2-b]pyridine-3-carboxylate

D731-0135 Screening compound: ethyl 5-amino-6-cyano-2-[(4-fluorophenyl)amino]-7-phenylthieno[3,2-b]pyridine-3-carboxylate
D731-0135 Screening compound: ethyl 5-amino-6-cyano-2-[(4-fluorophenyl)amino]-7-phenylthieno[3,2-b]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0135
ethyl 5-amino-6-cyano-2-[(4-fluorophenyl)amino]-7-phenylthieno[3,2-b]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

D731-0135

Molecular Formula

C23H17FN4O2S (C23 H17 FN4 O2 S)

Compound Name

ethyl 5-amino-6-cyano-2-[(4-fluorophenyl)amino]-7-phenylthieno[3,2-b]pyridine-3-carboxylate

IUPAC name

ethyl 5-amino-6-cyano-2-[(4-fluorophenyl)amino]-7-phenylthieno[32-b]pyridine-3-carboxylate

SMILES

CCOC(c1c(Nc(cc2)ccc2F)sc2c(-c3ccccc3)c(C#N)c(N)nc12)=O

InChI

InChI=1S/C23H17FN4O2S/c1-2-30-23(29)18-19-20(31-22(18)27-15-10-8-14(24)9-11-15)17(13-6-4-3-5-7-13)16(12-25)21(26)28-19/h3-11,27H,2H2,1H3,(H2,26,28)

InChI Key

VLGFMBTZEDKCCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09983524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.140

Distribution Coefficient, logD

5.140

Water Solubility, LogSw

-5.16

Polar Surface Area

76.281

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D731-0135 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D731-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0135?
Check Price and Availability of D731-0135, 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 D731-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0135
  • 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 D731-0135 available by request