V014-4175 Screening compound: 1-(2-chlorophenyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

V014-4175 Screening compound: 1-(2-chlorophenyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
V014-4175 Screening compound: 1-(2-chlorophenyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4175
1-(2-chlorophenyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]-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

V014-4175

Molecular Formula

C30H26ClNO5S (C30 H26 ClNO5 S)

Compound Name

1-(2-chlorophenyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

IUPAC name

1-(2-chlorophenyl)-2-[5-(23-dihydro-14-benzodioxin-6-yl)thiophene-2-carbonyl]-67-dimethoxy-1234-tetrahydroisoquinoline

SMILES

COc1cc(CCN(C2c(cccc3)c3Cl)C(c3ccc(-c(cc4)cc5c4OCCO5)s3)=O)c2cc1OC

InChI

InChI=1S/C30H26ClNO5S/c1-34-24-15-18-11-12-32(29(21(18)17-25(24)35-2)20-5-3-4-6-22(20)31)30(33)28-10-9-27(38-28)19-7-8-23-26(16-19)37-14-13-36-23/h3-10,15-17,29H,11-14H2,1-2H3/t29-/m0/s1

InChI Key

NMIGFKHNIFBVRB-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19958180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.845

Distribution Coefficient, logD

5.845

Water Solubility, LogSw

-5.97

Polar Surface Area

47.692

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

-6.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

V014-4175 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V014-4175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4175?
Check Price and Availability of V014-4175, 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 V014-4175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4175
  • 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 V014-4175 available by request