V013-7688 Screening compound: N-(3,4-dimethoxyphenyl)-N-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}benzenesulfonamide

V013-7688 Screening compound: N-(3,4-dimethoxyphenyl)-N-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}benzenesulfonamide
V013-7688 Screening compound: N-(3,4-dimethoxyphenyl)-N-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7688
N-(3,4-dimethoxyphenyl)-N-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}benzenesulfonamide

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

V013-7688

Molecular Formula

C28H34N2O6S (C28 H34 N2 O6 S)

Compound Name

N-(3,4-dimethoxyphenyl)-N-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}benzenesulfonamide

IUPAC name

N-(34-dimethoxyphenyl)-N-{1-[(23-dimethoxyphenyl)methyl]piperidin-4-yl}benzenesulfonamide

SMILES

COc(ccc(N(C1CCN(Cc(cccc2OC)c2OC)CC1)S(c1ccccc1)(=O)=O)c1)c1OC

InChI

InChI=1S/C28H34N2O6S/c1-33-25-14-13-23(19-27(25)35-3)30(37(31,32)24-10-6-5-7-11-24)22-15-17-29(18-16-22)20-21-9-8-12-26(34-2)28(21)36-4/h5-14,19,22H,15-18,20H2,1-4H3

InChI Key

HLXWDMSRROCLKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19913710

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-4.43

Polar Surface Area

66.332

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

9.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V013-7688 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-7688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7688?
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What is the minimum amount of V013-7688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7688
  • 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 V013-7688 available by request