V006-7600 Screening compound: 2-{3-[4-(4-butylbenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

V006-7600 Screening compound: 2-{3-[4-(4-butylbenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
V006-7600 Screening compound: 2-{3-[4-(4-butylbenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-7600
2-{3-[4-(4-butylbenzenesulfonyl)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

V006-7600

Molecular Formula

C32H41N3O7S2 (C32 H41 N3 O7 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(cc1)ccc1S(N(CC1)CCN1c(cc(cc1)S(N(CC2)Cc(cc3OC)c2cc3OC)(=O)=O)c1OC)(=O)=O

InChI

InChI=1S/C32H41N3O7S2/c1-5-6-7-24-8-10-27(11-9-24)43(36,37)34-18-16-33(17-19-34)29-22-28(12-13-30(29)40-2)44(38,39)35-15-14-25-20-31(41-3)32(42-4)21-26(25)23-35/h8-13,20-22H,5-7,14-19,23H2,1-4H3

InChI Key

UZTYOXOGCNZCMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950986

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

643.83

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.128

Distribution Coefficient, logD

6.128

Water Solubility, LogSw

-5.52

Polar Surface Area

89.173

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

V006-7600 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V006-7600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-7600?
Check Price and Availability of V006-7600, 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 V006-7600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-7600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-7600
  • 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 V006-7600 available by request