8008-0600 Screening compound: 2-amino-4-(5-butyl-4-nitro-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide

8008-0600 Screening compound: 2-amino-4-(5-butyl-4-nitro-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide
8008-0600 Screening compound: 2-amino-4-(5-butyl-4-nitro-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0600
2-amino-4-(5-butyl-4-nitro-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide

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

8008-0600

Molecular Formula

C19H22N4O2S (C19 H22 N4 O2 S)

Compound Name

2-amino-4-(5-butyl-4-nitro-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide

IUPAC name

2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-5H6H7H8H9H-cyclohepta[b]pyridine-3-carbonitrile

SMILES

CCCCc(sc(-c(c(CCCCC1)c1nc1N)c1C#N)c1)c1[N+]([O-])=O

InChI

InChI=1S/C19H22N4O2S/c1-2-3-9-16-15(23(24)25)10-17(26-16)18-12-7-5-4-6-8-14(12)22-19(21)13(18)11-20/h10H,2-9H2,1H3,(H2,21,22)

InChI Key

IVGNKGZQVRPTJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01118648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.550

Distribution Coefficient, logD

5.550

Water Solubility, LogSw

-5.51

Polar Surface Area

82.187

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

8008-0600 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 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 8008-0600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0600?
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What is the minimum amount of 8008-0600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0600
  • 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 8008-0600 available by request