8019-6392 Screening compound: N'-[(E)-(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide

8019-6392 Screening compound: N'-[(E)-(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
8019-6392 Screening compound: N'-[(E)-(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6392
N'-[(E)-(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide

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

8019-6392

Molecular Formula

C22H20N6OS (C22 H20 N6 OS)

Compound Name

N'-[(E)-(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide

IUPAC name

N'-[(E)-(5-cyano-24-dimethyl-1H-pyrrol-3-yl)methylidene]-46-dimethyl-3-(1H-pyrrol-1-yl)thieno[23-b]pyridine-2-carbohydrazide

SMILES

Cc1c(C#N)[nH]c(C)c1/C=N/NC(c(sc1nc(C)cc(C)c11)c1-n1cccc1)=O

InChI

InChI=1S/C22H20N6OS/c1-12-9-13(2)25-22-18(12)19(28-7-5-6-8-28)20(30-22)21(29)27-24-11-16-14(3)17(10-23)26-15(16)4/h5-9,11,26H,1-4H3,(H,27,29)

InChI Key

ZYZVCSDIQFPBFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.777

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-4.79

Polar Surface Area

76.998

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8019-6392 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8019-6392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6392?
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What is the minimum amount of 8019-6392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6392
  • 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 8019-6392 available by request