V015-1661 Screening compound: 3-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazine-1-carbonyl}benzonitrile

V015-1661 Screening compound: 3-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazine-1-carbonyl}benzonitrile
V015-1661 Screening compound: 3-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1661
3-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazine-1-carbonyl}benzonitrile

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

V015-1661

Molecular Formula

C28H28N4O4S (C28 H28 N4 O4 S)

Compound Name

3-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazine-1-carbonyl}benzonitrile

IUPAC name

3-{4-[2-methoxy-5-(1234-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazine-1-carbonyl}benzonitrile

SMILES

COc(ccc(S(N(CC1)Cc2c1cccc2)(=O)=O)c1)c1N(CC1)CCN1C(c1cc(C#N)ccc1)=O

InChI

InChI=1S/C28H28N4O4S/c1-36-27-10-9-25(37(34,35)32-12-11-22-6-2-3-7-24(22)20-32)18-26(27)30-13-15-31(16-14-30)28(33)23-8-4-5-21(17-23)19-29/h2-10,17-18H,11-16,20H2,1H3

InChI Key

OTKBCLGCDOKRJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950391

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.841

Distribution Coefficient, logD

3.841

Water Solubility, LogSw

-4.07

Polar Surface Area

75.906

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V015-1661 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V015-1661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1661?
Check Price and Availability of V015-1661, 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 V015-1661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1661
  • 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 V015-1661 available by request