V007-8739 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzene-1-sulfonamide

V007-8739 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzene-1-sulfonamide
V007-8739 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-8739
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzene-1-sulfonamide

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

V007-8739

Molecular Formula

C32H33N5O7S (C32 H33 N5 O7 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzene-1-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-methoxy-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzene-1-sulfonamide

SMILES

COc(cc1)ccc1S(N(CC(N(CC1)CCN1c(cc1)nnc1-c1cc(OC)ccc1)=O)Cc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C32H33N5O7S/c1-41-25-7-9-27(10-8-25)45(39,40)37(20-23-6-12-29-30(18-23)44-22-43-29)21-32(38)36-16-14-35(15-17-36)31-13-11-28(33-34-31)24-4-3-5-26(19-24)42-2/h3-13,18-19H,14-17,20-22H2,1-2H3

InChI Key

JVYHAGLUXMIYAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831127

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

631.71

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.235

Distribution Coefficient, logD

4.123

Water Solubility, LogSw

-4.37

Polar Surface Area

104.133

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.13

V007-8739 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 V007-8739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-8739?
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What is the minimum amount of V007-8739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-8739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-8739
  • 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 V007-8739 available by request