8012-4434 Screening compound: 6-amino-4-(2-chloro-6-fluorophenyl)-3-(2-pyridyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

8012-4434 Screening compound: 6-amino-4-(2-chloro-6-fluorophenyl)-3-(2-pyridyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide
8012-4434 Screening compound: 6-amino-4-(2-chloro-6-fluorophenyl)-3-(2-pyridyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4434
6-amino-4-(2-chloro-6-fluorophenyl)-3-(2-pyridyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-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

8012-4434

Molecular Formula

C18H11ClFN5O (C18 H11 ClFN5 O)

Compound Name

6-amino-4-(2-chloro-6-fluorophenyl)-3-(2-pyridyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

IUPAC name

6-amino-4-(2-chloro-6-fluorophenyl)-3-(pyridin-2-yl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

NC(Oc1c(C2c(c(F)ccc3)c3Cl)c(-c3ncccc3)n[nH]1)=C2C#N

InChI

InChI=1S/C18H11ClFN5O/c19-10-4-3-5-11(20)14(10)13-9(8-21)17(22)26-18-15(13)16(24-25-18)12-6-1-2-7-23-12/h1-7,13H,22H2,(H,24,25)/t13-/m1/s1

InChI Key

SYCBJKOGPNFEPV-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03036030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.478

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-3.41

Polar Surface Area

79.521

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.56

8012-4434 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8012-4434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4434?
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What is the minimum amount of 8012-4434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4434
  • 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 8012-4434 available by request