8009-1452 Screening compound: 3,6-diamino-N-(4-butoxyphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide

8009-1452 Screening compound: 3,6-diamino-N-(4-butoxyphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
8009-1452 Screening compound: 3,6-diamino-N-(4-butoxyphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1452
3,6-diamino-N-(4-butoxyphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide

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

8009-1452

Molecular Formula

C19H19N5O2S (C19 H19 N5 O2 S)

Compound Name

3,6-diamino-N-(4-butoxyphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide

IUPAC name

36-diamino-N-(4-butoxyphenyl)-5-cyanothieno[23-b]pyridine-2-carboxamide

SMILES

CCCCOc(cc1)ccc1NC(c(sc(c1c2)nc(N)c2C#N)c1N)=O

InChI

InChI=1S/C19H19N5O2S/c1-2-3-8-26-13-6-4-12(5-7-13)23-18(25)16-15(21)14-9-11(10-20)17(22)24-19(14)27-16/h4-7,9H,2-3,8,21H2,1H3,(H2,22,24)(H,23,25)

InChI Key

LWTMTVUSTLSHFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.701

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-4.10

Polar Surface Area

97.607

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8009-1452 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8009-1452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1452?
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What is the minimum amount of 8009-1452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1452
  • 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 8009-1452 available by request