V027-0168 Screening compound: 1-[1-(3-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane

V027-0168 Screening compound: 1-[1-(3-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane
V027-0168 Screening compound: 1-[1-(3-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-0168
1-[1-(3-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-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

V027-0168

Molecular Formula

C22H21ClN6OS (C22 H21 ClN6 OS)

Compound Name

1-[1-(3-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane

IUPAC name

1-[1-(3-chlorophenyl)-6-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-14-diazepane

SMILES

Cc1nc(N(CCC2)CCN2C(c2cccs2)=O)c(cnn2-c3cccc(Cl)c3)c2n1

InChI

InChI=1S/C22H21ClN6OS/c1-15-25-20(18-14-24-29(21(18)26-15)17-6-2-5-16(23)13-17)27-8-4-9-28(11-10-27)22(30)19-7-3-12-31-19/h2-3,5-7,12-14H,4,8-11H2,1H3

InChI Key

VWOFJLPTBYWAGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14254271

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.97

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

4.796

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.82

Polar Surface Area

54.040

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V027-0168 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 V027-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-0168?
Check Price and Availability of V027-0168, 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 V027-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-0168
  • 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 V027-0168 available by request