V014-2454 Screening compound: 1-(1-{6,7-DIMETHOXY-2-[(4-METHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}PROPYL)-3-ETHYLUREA

V014-2454 Screening compound: 1-(1-{6,7-DIMETHOXY-2-[(4-METHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}PROPYL)-3-ETHYLUREA
V014-2454 Screening compound: 1-(1-{6,7-DIMETHOXY-2-[(4-METHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}PROPYL)-3-ETHYLUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-2454
1-(1-{6,7-DIMETHOXY-2-[(4-METHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}PROPYL)-3-ETHYLUREA

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

V014-2454

Molecular Formula

C25H35N3O3 (C25 H35 N3 O3)

Compound Name

1-(1-{6,7-DIMETHOXY-2-[(4-METHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}PROPYL)-3-ETHYLUREA

IUPAC name

1-(1-{67-dimethoxy-2-[(4-methylphenyl)methyl]-1234-tetrahydroisoquinolin-1-yl}propyl)-3-ethylurea

SMILES

CCC(C1N(Cc2ccc(C)cc2)CCc(cc2OC)c1cc2OC)NC(NCC)=O

InChI

InChI=1S/C25H35N3O3/c1-6-21(27-25(29)26-7-2)24-20-15-23(31-5)22(30-4)14-19(20)12-13-28(24)16-18-10-8-17(3)9-11-18/h8-11,14-15,21,24H,6-7,12-13,16H2,1-5H3,(H2,26,27,29)

InChI Key

VKESGOSEXZWSNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10459051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

0.829

Water Solubility, LogSw

-3.54

Polar Surface Area

53.119

Acid Dissociation Constant (pKa)

14.98

Base Dissociation Constant (pKb)

10.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

V014-2454 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V014-2454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-2454?
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What is the minimum amount of V014-2454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-2454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-2454
  • 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 V014-2454 available by request