V006-0969 Screening compound: (2E)-1-(4-{5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2-methylbut-2-en-1-one

V006-0969 Screening compound: (2E)-1-(4-{5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2-methylbut-2-en-1-one
V006-0969 Screening compound: (2E)-1-(4-{5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2-methylbut-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0969
(2E)-1-(4-{5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2-methylbut-2-en-1-one

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

V006-0969

Molecular Formula

C27H35N3O6S (C27 H35 N3 O6 S)

Compound Name

(2E)-1-(4-{5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2-methylbut-2-en-1-one

IUPAC name

(2E)-1-(4-{5-[(67-dimethoxy-1234-tetrahydroisoquinolin-2-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2-methylbut-2-en-1-one

SMILES

C/C=C(\C)/C(N(CC1)CCN1c(cc(cc1)S(N(CC2)Cc(cc3OC)c2cc3OC)(=O)=O)c1OC)=O

InChI

InChI=1S/C27H35N3O6S/c1-6-19(2)27(31)29-13-11-28(12-14-29)23-17-22(7-8-24(23)34-3)37(32,33)30-10-9-20-15-25(35-4)26(36-5)16-21(20)18-30/h6-8,15-17H,9-14,18H2,1-5H3

InChI Key

FLKRWOVGXZFWKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950821

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.692

Distribution Coefficient, logD

3.692

Water Solubility, LogSw

-4.08

Polar Surface Area

74.382

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with V006-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0969?
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What is the minimum amount of V006-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0969
  • 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 V006-0969 available by request