V009-4493 Screening compound: 4-methoxy-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)benzene-1-sulfonamide

V009-4493 Screening compound: 4-methoxy-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)benzene-1-sulfonamide
V009-4493 Screening compound: 4-methoxy-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4493
4-methoxy-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)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

V009-4493

Molecular Formula

C33H37N5O5S (C33 H37 N5 O5 S)

Compound Name

4-methoxy-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)benzene-1-sulfonamide

IUPAC name

4-methoxy-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)benzene-1-sulfonamide

SMILES

COc(cc1)ccc1-c(cc1)nnc1N(CCC1)CCN1C(CN(CCc1ccccc1)S(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C33H37N5O5S/c1-42-28-11-9-27(10-12-28)31-17-18-32(35-34-31)36-20-6-21-37(24-23-36)33(39)25-38(22-19-26-7-4-3-5-8-26)44(40,41)30-15-13-29(43-2)14-16-30/h3-5,7-18H,6,19-25H2,1-2H3

InChI Key

QPHLPEXMBRQJMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831123

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

615.75

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.900

Water Solubility, LogSw

-4.58

Polar Surface Area

87.327

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

V009-4493 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V009-4493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4493?
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What is the minimum amount of V009-4493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4493
  • 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 V009-4493 available by request