5586-1243 Screening compound: 1-benzoyl-3-{3-cyano-6-propyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}thiourea

5586-1243 Screening compound: 1-benzoyl-3-{3-cyano-6-propyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}thiourea
5586-1243 Screening compound: 1-benzoyl-3-{3-cyano-6-propyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-1243
1-benzoyl-3-{3-cyano-6-propyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}thiourea

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

5586-1243

Molecular Formula

C19H20N4OS2 (C19 H20 N4 OS2)

Compound Name

1-benzoyl-3-{3-cyano-6-propyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}thiourea

IUPAC name

1-benzoyl-3-{3-cyano-6-propyl-4H5H6H7H-thieno[23-c]pyridin-2-yl}thiourea

SMILES

CCCN(CC1)Cc2c1c(C#N)c(NC(NC(c1ccccc1)=O)=S)s2

InChI

InChI=1S/C19H20N4OS2/c1-2-9-23-10-8-14-15(11-20)18(26-16(14)12-23)22-19(25)21-17(24)13-6-4-3-5-7-13/h3-7H,2,8-10,12H2,1H3,(H2,21,22,24,25)

InChI Key

LNAZFNROEFHGSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

2.376

Water Solubility, LogSw

-4.22

Polar Surface Area

53.735

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

5586-1243 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5586-1243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-1243?
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What is the minimum amount of 5586-1243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-1243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-1243
  • 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 5586-1243 available by request