V014-1296 Screening compound: 1-(1-{2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-(propan-2-yl)urea

V014-1296 Screening compound: 1-(1-{2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-(propan-2-yl)urea
V014-1296 Screening compound: 1-(1-{2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1296
1-(1-{2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-(propan-2-yl)urea

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

V014-1296

Molecular Formula

C24H32FN3O3 (C24 H32 FN3 O3)

Compound Name

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

IUPAC name

1-(1-{2-[(3-fluorophenyl)methyl]-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl}ethyl)-3-(propan-2-yl)urea

SMILES

CC(C)NC(NC(C)C1N(Cc2cccc(F)c2)CCc(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C24H32FN3O3/c1-15(2)26-24(29)27-16(3)23-20-13-22(31-5)21(30-4)12-18(20)9-10-28(23)14-17-7-6-8-19(25)11-17/h6-8,11-13,15-16,23H,9-10,14H2,1-5H3,(H2,26,27,29)

InChI Key

DMSOADFZWXTDGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818235

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.246

Distribution Coefficient, logD

1.299

Water Solubility, LogSw

-3.52

Polar Surface Area

52.000

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

V014-1296 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with V014-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1296?
Check Price and Availability of V014-1296, 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 V014-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1296
  • 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 V014-1296 available by request