F624-3991 Screening compound: 1-[1-phenyl-5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]azepane

F624-3991 Screening compound: 1-[1-phenyl-5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]azepane
F624-3991 Screening compound: 1-[1-phenyl-5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound F624-3991
1-[1-phenyl-5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]azepane

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

F624-3991

Molecular Formula

C21H22N4O (C21 H22 N4 O)

Compound Name

1-[1-phenyl-5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]azepane

IUPAC name

1-[1-phenyl-5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]azepane

SMILES

O=C(c(cc1-c2ccncc2)nn1-c1ccccc1)N1CCCCCC1

InChI

InChI=1S/C21H22N4O/c26-21(24-14-6-1-2-7-15-24)19-16-20(17-10-12-22-13-11-17)25(23-19)18-8-4-3-5-9-18/h3-5,8-13,16H,1-2,6-7,14-15H2

InChI Key

GIPCBGYIKCXTOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27179577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

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

3.660

Distribution Coefficient, logD

3.660

Water Solubility, LogSw

-3.84

Polar Surface Area

39.469

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F624-3991 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F624-3991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F624-3991?
Check Price and Availability of F624-3991, 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 F624-3991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F624-3991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F624-3991
  • 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 F624-3991 available by request