V008-4839 Screening compound: [6,7-dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl][5-(2,3,4-trimethoxyphenyl)-2-thienyl]methanone

V008-4839 Screening compound: [6,7-dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl][5-(2,3,4-trimethoxyphenyl)-2-thienyl]methanone
V008-4839 Screening compound: [6,7-dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl][5-(2,3,4-trimethoxyphenyl)-2-thienyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4839
[6,7-dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl][5-(2,3,4-trimethoxyphenyl)-2-thienyl]methanone

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

V008-4839

Molecular Formula

C31H31NO6S (C31 H31 NO6 S)

Compound Name

[6,7-dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl][5-(2,3,4-trimethoxyphenyl)-2-thienyl]methanone

IUPAC name

67-dimethoxy-1-phenyl-2-[5-(234-trimethoxyphenyl)thiophene-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

COc(ccc(-c1ccc(C(N(CC2)C(c3ccccc3)c(cc3OC)c2cc3OC)=O)s1)c1OC)c1OC

InChI

InChI=1S/C31H31NO6S/c1-34-23-12-11-21(29(37-4)30(23)38-5)26-13-14-27(39-26)31(33)32-16-15-20-17-24(35-2)25(36-3)18-22(20)28(32)19-9-7-6-8-10-19/h6-14,17-18,28H,15-16H2,1-5H3/t28-/m0/s1

InChI Key

YIDZJJRLNBPSTF-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19958186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.997

Distribution Coefficient, logD

5.997

Water Solubility, LogSw

-5.56

Polar Surface Area

54.933

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

-5.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.81

V008-4839 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V008-4839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4839?
Check Price and Availability of V008-4839, 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 V008-4839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4839
  • 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 V008-4839 available by request