8008-2123 Screening compound: 6-amino-4-(4-chlorophenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8008-2123 Screening compound: 6-amino-4-(4-chlorophenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8008-2123 Screening compound: 6-amino-4-(4-chlorophenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2123
6-amino-4-(4-chlorophenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

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

8008-2123

Molecular Formula

C14H11ClN4O (C14 H11 ClN4 O)

Compound Name

6-amino-4-(4-chlorophenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-(4-chlorophenyl)-3-methyl-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc1n[nH]c2c1C(c(cc1)ccc1Cl)C(C#N)=C(N)O2

InChI

InChI=1S/C14H11ClN4O/c1-7-11-12(8-2-4-9(15)5-3-8)10(6-16)13(17)20-14(11)19-18-7/h2-5,12H,17H2,1H3,(H,18,19)/t12-/m0/s1

InChI Key

LFMRJDCCWCMETI-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00245328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.056

Water Solubility, LogSw

-3.31

Polar Surface Area

70.551

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

8008-2123 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8008-2123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2123?
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What is the minimum amount of 8008-2123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2123
  • 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 8008-2123 available by request