V001-6842 Screening compound: 3-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-{[3-phenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,2-oxazol-4-yl]methyl}thiourea

V001-6842 Screening compound: 3-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-{[3-phenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,2-oxazol-4-yl]methyl}thiourea
V001-6842 Screening compound: 3-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-{[3-phenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,2-oxazol-4-yl]methyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6842
3-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-{[3-phenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,2-oxazol-4-yl]methyl}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

V001-6842

Molecular Formula

C30H32FN5OS (C30 H32 FN5 OS)

Compound Name

3-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-{[3-phenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,2-oxazol-4-yl]methyl}thiourea

IUPAC name

3-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-{[3-phenyl-5-(1234-tetrahydroisoquinolin-2-yl)-12-oxazol-4-yl]methyl}thiourea

SMILES

CN(C)CCN(Cc1c(N(CC2)Cc3c2cccc3)onc1-c1ccccc1)C(Nc(cc1)ccc1F)=S

InChI

InChI=1S/C30H32FN5OS/c1-34(2)18-19-36(30(38)32-26-14-12-25(31)13-15-26)21-27-28(23-9-4-3-5-10-23)33-37-29(27)35-17-16-22-8-6-7-11-24(22)20-35/h3-15H,16-21H2,1-2H3,(H,32,38)

InChI Key

DLGOOMMTFLFPHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19878837

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.851

Distribution Coefficient, logD

3.503

Water Solubility, LogSw

-5.63

Polar Surface Area

40.504

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

9.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with V001-6842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6842?
Check Price and Availability of V001-6842, 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 V001-6842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6842
  • 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 V001-6842 available by request