V031-2646 Screening compound: 2-{3-[4-(2,4-difluorobenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

V031-2646 Screening compound: 2-{3-[4-(2,4-difluorobenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
V031-2646 Screening compound: 2-{3-[4-(2,4-difluorobenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2646
2-{3-[4-(2,4-difluorobenzenesulfonyl)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

V031-2646

Molecular Formula

C28H31F2N3O7S2 (C28 H31 F2 N3 O7 S2)

Compound Name

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

IUPAC name

2-{3-[4-(24-difluorobenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-67-dimethoxy-1234-tetrahydroisoquinoline

SMILES

COc(ccc(S(N(CC1)Cc(cc2OC)c1cc2OC)(=O)=O)c1)c1N(CC1)CCN1S(c(ccc(F)c1)c1F)(=O)=O

InChI

InChI=1S/C28H31F2N3O7S2/c1-38-25-6-5-22(41(34,35)33-9-8-19-14-26(39-2)27(40-3)15-20(19)18-33)17-24(25)31-10-12-32(13-11-31)42(36,37)28-7-4-21(29)16-23(28)30/h4-7,14-17H,8-13,18H2,1-3H3

InChI Key

VBPUQKKLHDCQMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950958

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

623.7

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.32

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

35.70

V031-2646 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 V031-2646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2646?
Check Price and Availability of V031-2646, 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 V031-2646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2646
  • 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 V031-2646 available by request