V030-9093 Screening compound: 2-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

V030-9093 Screening compound: 2-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
V030-9093 Screening compound: 2-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9093
2-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

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

V030-9093

Molecular Formula

C27H31N3O7S (C27 H31 N3 O7 S)

Compound Name

2-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-67-dimethoxy-1234-tetrahydroisoquinoline

SMILES

COc(ccc(S(N(CC1)Cc(cc2OC)c1cc2OC)(=O)=O)c1)c1N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C27H31N3O7S/c1-34-23-7-6-21(17-22(23)28-10-12-29(13-11-28)27(31)24-5-4-14-37-24)38(32,33)30-9-8-19-15-25(35-2)26(36-3)16-20(19)18-30/h4-7,14-17H,8-13,18H2,1-3H3

InChI Key

NJYVJFQAZXUTPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950715

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.304

Water Solubility, LogSw

-3.75

Polar Surface Area

82.689

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V030-9093 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V030-9093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9093?
Check Price and Availability of V030-9093, 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 V030-9093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9093
  • 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 V030-9093 available by request