V008-7705 Screening compound: 1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-(3-methylphenyl)thiourea

V008-7705 Screening compound: 1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-(3-methylphenyl)thiourea
V008-7705 Screening compound: 1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-(3-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7705
1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-(3-methylphenyl)thiourea

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

V008-7705

Molecular Formula

C28H32FN3O2S (C28 H32 FN3 O2 S)

Compound Name

1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-(3-methylphenyl)thiourea

IUPAC name

1-(1-{2-[(4-fluorophenyl)methyl]-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl}ethyl)-3-(3-methylphenyl)thiourea

SMILES

CC(C1N(Cc(cc2)ccc2F)CCc(cc2OC)c1cc2OC)NC(Nc1cc(C)ccc1)=S

InChI

InChI=1S/C28H32FN3O2S/c1-18-6-5-7-23(14-18)31-28(35)30-19(2)27-24-16-26(34-4)25(33-3)15-21(24)12-13-32(27)17-20-8-10-22(29)11-9-20/h5-11,14-16,19,27H,12-13,17H2,1-4H3,(H2,30,31,35)

InChI Key

VNDCGTFJCIMWAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818246

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.091

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-4.90

Polar Surface Area

37.951

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

8.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

V008-7705 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 V008-7705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7705?
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What is the minimum amount of V008-7705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7705
  • 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 V008-7705 available by request