8006-4513 Screening compound: 6-amino-4-(5-bromo-2-fluorophenyl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8006-4513 Screening compound: 6-amino-4-(5-bromo-2-fluorophenyl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8006-4513 Screening compound: 6-amino-4-(5-bromo-2-fluorophenyl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4513
6-amino-4-(5-bromo-2-fluorophenyl)-3-methyl-1-phenyl-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

8006-4513

Molecular Formula

C20H14BrFN4O (C20 H14 BrFN4 O)

Compound Name

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

IUPAC name

6-amino-4-(5-bromo-2-fluorophenyl)-3-methyl-1-phenyl-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc(c(C1c(cc(cc2)Br)c2F)c2OC(N)=C1C#N)nn2-c1ccccc1

InChI

InChI=1S/C20H14BrFN4O/c1-11-17-18(14-9-12(21)7-8-16(14)22)15(10-23)19(24)27-20(17)26(25-11)13-5-3-2-4-6-13/h2-9,18H,24H2,1H3/t18-/m0/s1

InChI Key

XQBAXSHGMLCCIW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00825178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.111

Distribution Coefficient, logD

4.111

Water Solubility, LogSw

-4.53

Polar Surface Area

59.317

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

8006-4513 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8006-4513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4513?
Check Price and Availability of 8006-4513, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8006-4513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4513
  • 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 8006-4513 available by request