V008-2246 Screening compound: 2-(3-{4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl}-4-methoxybenzenesulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

V008-2246 Screening compound: 2-(3-{4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl}-4-methoxybenzenesulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
V008-2246 Screening compound: 2-(3-{4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl}-4-methoxybenzenesulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2246
2-(3-{4-[1-(4-chlorophenyl)cyclopentanecarbonyl]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

V008-2246

Molecular Formula

C34H40ClN3O6S (C34 H40 ClN3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(S(N(CC1)Cc(cc2OC)c1cc2OC)(=O)=O)c1)c1N(CC1)CCN1C(C1(CCCC1)c(cc1)ccc1Cl)=O

InChI

InChI=1S/C34H40ClN3O6S/c1-42-30-11-10-28(45(40,41)38-15-12-24-20-31(43-2)32(44-3)21-25(24)23-38)22-29(30)36-16-18-37(19-17-36)33(39)34(13-4-5-14-34)26-6-8-27(35)9-7-26/h6-11,20-22H,4-5,12-19,23H2,1-3H3

InChI Key

UNYXSJMKXRNQJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950764

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

654.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.850

Distribution Coefficient, logD

5.850

Water Solubility, LogSw

-6.05

Polar Surface Area

74.397

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.12

V008-2246 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V008-2246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2246?
Check Price and Availability of V008-2246, 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 V008-2246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2246
  • 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 V008-2246 available by request