V005-9021 Screening compound: 2-{3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-1,2,3,4-tetrahydroisoquinoline

V005-9021 Screening compound: 2-{3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-1,2,3,4-tetrahydroisoquinoline
V005-9021 Screening compound: 2-{3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9021
2-{3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-1,2,3,4-tetrahydroisoquinoline

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

V005-9021

Molecular Formula

C27H27F2N3O4S (C27 H27 F2 N3 O4 S)

Compound Name

2-{3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{3-[4-(24-difluorobenzoyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-1234-tetrahydroisoquinoline

SMILES

COc(ccc(S(N(CC1)Cc2c1cccc2)(=O)=O)c1)c1N(CC1)CCN1C(c(ccc(F)c1)c1F)=O

InChI

InChI=1S/C27H27F2N3O4S/c1-36-26-9-7-22(37(34,35)32-11-10-19-4-2-3-5-20(19)18-32)17-25(26)30-12-14-31(15-13-30)27(33)23-8-6-21(28)16-24(23)29/h2-9,16-17H,10-15,18H2,1H3

InChI Key

QMOBKUBVVYEBTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950229

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

4.760

Water Solubility, LogSw

-4.51

Polar Surface Area

58.849

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V005-9021 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V005-9021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9021?
Check Price and Availability of V005-9021, 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 V005-9021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9021
  • 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 V005-9021 available by request