D463-0004 Screening compound: 1-[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]azepane

D463-0004 Screening compound: 1-[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]azepane
D463-0004 Screening compound: 1-[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound D463-0004
1-[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]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

D463-0004

Molecular Formula

C20H23FN4 (C20 H23 FN4)

Compound Name

1-[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]azepane

IUPAC name

1-[3-(4-fluorophenyl)-25-dimethylpyrazolo[15-a]pyrimidin-7-yl]azepane

SMILES

Cc1nn2c(N3CCCCCC3)cc(C)nc2c1-c(cc1)ccc1F

InChI

InChI=1S/C20H23FN4/c1-14-13-18(24-11-5-3-4-6-12-24)25-20(22-14)19(15(2)23-25)16-7-9-17(21)10-8-16/h7-10,13H,3-6,11-12H2,1-2H3

InChI Key

MJSCBLNUALPRGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.708

Distribution Coefficient, logD

3.201

Water Solubility, LogSw

-4.61

Polar Surface Area

23.188

Acid Dissociation Constant (pKa)

26.14

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D463-0004 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D463-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D463-0004?
Check Price and Availability of D463-0004, 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 D463-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D463-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D463-0004
  • 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 D463-0004 available by request