V001-4241 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane

V001-4241 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane
V001-4241 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4241
1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane

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

V001-4241

Molecular Formula

C25H24ClFN6O (C25 H24 ClFN6 O)

Compound Name

1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane

IUPAC name

1-[1-(2-chlorophenyl)-36-dimethyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-14-diazepane

SMILES

Cc(c1c(N(CCC2)CCN2C(c(cccc2)c2F)=O)nc(C)nc11)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C25H24ClFN6O/c1-16-22-23(28-17(2)29-24(22)33(30-16)21-11-6-4-9-19(21)26)31-12-7-13-32(15-14-31)25(34)18-8-3-5-10-20(18)27/h3-6,8-11H,7,12-15H2,1-2H3

InChI Key

ITFZWEJIOSIJCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14253279

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

478.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.373

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-4.58

Polar Surface Area

53.074

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V001-4241 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V001-4241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4241?
Check Price and Availability of V001-4241, 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 V001-4241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4241
  • 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 V001-4241 available by request