V001-4122 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methoxybenzoyl)-1,4-diazepane

V001-4122 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methoxybenzoyl)-1,4-diazepane
V001-4122 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methoxybenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4122
1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-methoxybenzoyl)-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

V001-4122

Molecular Formula

C26H27ClN6O2 (C26 H27 ClN6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c(N(CCC2)CCN2C(c(cc2)ccc2OC)=O)nc(C)nc11)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C26H27ClN6O2/c1-17-23-24(28-18(2)29-25(23)33(30-17)22-8-5-4-7-21(22)27)31-13-6-14-32(16-15-31)26(34)19-9-11-20(35-3)12-10-19/h4-5,7-12H,6,13-16H2,1-3H3

InChI Key

PMYBPHWORVXJML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14253273

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

490.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-4.45

Polar Surface Area

60.618

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V001-4122 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • 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 V001-4122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4122?
Check Price and Availability of V001-4122, 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 V001-4122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4122
  • 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 V001-4122 available by request