5137-3429 Screening compound: N-{3-cyano-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-4-fluorobenzamide

5137-3429 Screening compound: N-{3-cyano-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-4-fluorobenzamide
5137-3429 Screening compound: N-{3-cyano-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5137-3429
N-{3-cyano-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-4-fluorobenzamide

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

5137-3429

Molecular Formula

C19H20FN3OS (C19 H20 FN3 OS)

Compound Name

N-{3-cyano-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-4-fluorobenzamide

IUPAC name

N-{3-cyano-5577-tetramethyl-4H5H6H7H-thieno[23-c]pyridin-2-yl}-4-fluorobenzamide

SMILES

CC(C)(C1)NC(C)(C)c2c1c(C#N)c(NC(c(cc1)ccc1F)=O)s2

InChI

InChI=1S/C19H20FN3OS/c1-18(2)9-13-14(10-21)17(25-15(13)19(3,4)23-18)22-16(24)11-5-7-12(20)8-6-11/h5-8,23H,9H2,1-4H3,(H,22,24)

InChI Key

CBNVLDSEKBTHGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03783615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

-0.184

Water Solubility, LogSw

-4.38

Polar Surface Area

51.380

Acid Dissociation Constant (pKa)

3.88

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

5137-3429 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5137-3429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5137-3429?
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What is the minimum amount of 5137-3429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5137-3429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5137-3429
  • 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 5137-3429 available by request