V010-3688 Screening compound: 2-{3-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

V010-3688 Screening compound: 2-{3-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
V010-3688 Screening compound: 2-{3-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3688
2-{3-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-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

V010-3688

Molecular Formula

C29H32ClN3O6S (C29 H32 ClN3 O6 S)

Compound Name

2-{3-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{3-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-67-dimethoxy-1234-tetrahydroisoquinoline

SMILES

COc(ccc(S(N(CC1)Cc(cc2OC)c1cc2OC)(=O)=O)c1)c1N(CC1)CCN1C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C29H32ClN3O6S/c1-37-26-9-8-24(40(35,36)33-11-10-21-16-27(38-2)28(39-3)17-22(21)19-33)18-25(26)31-12-14-32(15-13-31)29(34)20-4-6-23(30)7-5-20/h4-9,16-18H,10-15,19H2,1-3H3

InChI Key

JPGYCAYNJILDGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950630

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

586.11

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.67

Polar Surface Area

74.110

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

V010-3688 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 V010-3688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3688?
Check Price and Availability of V010-3688, 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 V010-3688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3688
  • 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 V010-3688 available by request