V022-6244 Screening compound: {4-[1-(4-chlorophenyl)-6-(methoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-thienyl)methanone

V022-6244 Screening compound: {4-[1-(4-chlorophenyl)-6-(methoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-thienyl)methanone
V022-6244 Screening compound: {4-[1-(4-chlorophenyl)-6-(methoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6244
{4-[1-(4-chlorophenyl)-6-(methoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-thienyl)methanone

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

V022-6244

Molecular Formula

C23H23ClN6O2S (C23 H23 ClN6 O2 S)

Compound Name

{4-[1-(4-chlorophenyl)-6-(methoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-thienyl)methanone

IUPAC name

1-[1-(4-chlorophenyl)-6-(methoxymethyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-14-diazepane

SMILES

COCc1nc(N(CCC2)CCN2C(c2cccs2)=O)c(cnn2-c(cc3)ccc3Cl)c2n1

InChI

InChI=1S/C23H23ClN6O2S/c1-32-15-20-26-21(18-14-25-30(22(18)27-20)17-7-5-16(24)6-8-17)28-9-3-10-29(12-11-28)23(31)19-4-2-13-33-19/h2,4-8,13-14H,3,9-12,15H2,1H3

InChI Key

YITWBLMOSQNIJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14259660

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.501

Distribution Coefficient, logD

4.473

Water Solubility, LogSw

-4.65

Polar Surface Area

63.842

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

V022-6244 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V022-6244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6244?
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What is the minimum amount of V022-6244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6244
  • 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 V022-6244 available by request