V007-1885 Screening compound: 1-[1-(3-fluorophenyl)-4-methyl-3-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carbonyl]azocane

V007-1885 Screening compound: 1-[1-(3-fluorophenyl)-4-methyl-3-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carbonyl]azocane
V007-1885 Screening compound: 1-[1-(3-fluorophenyl)-4-methyl-3-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carbonyl]azocane alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-1885
1-[1-(3-fluorophenyl)-4-methyl-3-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carbonyl]azocane

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

V007-1885

Molecular Formula

C27H27FN4O (C27 H27 FN4 O)

Compound Name

1-[1-(3-fluorophenyl)-4-methyl-3-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carbonyl]azocane

IUPAC name

1-[1-(3-fluorophenyl)-4-methyl-3-phenyl-1H-pyrazolo[34-b]pyridine-6-carbonyl]azocane

SMILES

Cc1c(c(-c2ccccc2)nn2-c3cccc(F)c3)c2nc(C(N2CCCCCCC2)=O)c1

InChI

InChI=1S/C27H27FN4O/c1-19-17-23(27(33)31-15-8-3-2-4-9-16-31)29-26-24(19)25(20-11-6-5-7-12-20)30-32(26)22-14-10-13-21(28)18-22/h5-7,10-14,17-18H,2-4,8-9,15-16H2,1H3

InChI Key

REABJDQEBXJCJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953579

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.178

Distribution Coefficient, logD

6.178

Water Solubility, LogSw

-5.73

Polar Surface Area

40.535

Acid Dissociation Constant (pKa)

28.10

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V007-1885 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V007-1885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-1885?
Check Price and Availability of V007-1885, 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 V007-1885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-1885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-1885
  • 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 V007-1885 available by request