V006-4939 Screening compound: 1-(4-{5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-1-oxopropan-2-yl acetate

V006-4939 Screening compound: 1-(4-{5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-1-oxopropan-2-yl acetate
V006-4939 Screening compound: 1-(4-{5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-1-oxopropan-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4939
1-(4-{5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-1-oxopropan-2-yl acetate

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

V006-4939

Molecular Formula

C27H35N3O8S (C27 H35 N3 O8 S)

Compound Name

1-(4-{5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-1-oxopropan-2-yl acetate

IUPAC name

(2S)-1-(4-{5-[(67-dimethoxy-1234-tetrahydroisoquinolin-2-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-1-oxopropan-2-yl acetate

SMILES

C[C@@H](C(N(CC1)CCN1c(cc(cc1)S(N(CC2)Cc(cc3OC)c2cc3OC)(=O)=O)c1OC)=O)OC(C)=O

InChI

InChI=1S/C27H35N3O8S/c1-18(38-19(2)31)27(32)29-12-10-28(11-13-29)23-16-22(6-7-24(23)35-3)39(33,34)30-9-8-20-14-25(36-4)26(37-5)15-21(20)17-30/h6-7,14-16,18H,8-13,17H2,1-5H3/t18-/m0/s1

InChI Key

SENDUGJMHJKPOJ-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

561.66

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.666

Distribution Coefficient, logD

2.666

Water Solubility, LogSw

-3.09

Polar Surface Area

94.903

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.15

V006-4939 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 V006-4939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4939?
Check Price and Availability of V006-4939, 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 V006-4939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4939
  • 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 V006-4939 available by request