V013-5508 Screening compound: 1-(1-{6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-ethylurea

V013-5508 Screening compound: 1-(1-{6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-ethylurea
V013-5508 Screening compound: 1-(1-{6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5508
1-(1-{6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-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

V013-5508

Molecular Formula

C24H33N3O4 (C24 H33 N3 O4)

Compound Name

1-(1-{6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-ethylurea

IUPAC name

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

SMILES

CCNC(NC(C)C1N(Cc(cc2)ccc2OC)CCc(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C24H33N3O4/c1-6-25-24(28)26-16(2)23-20-14-22(31-5)21(30-4)13-18(20)11-12-27(23)15-17-7-9-19(29-3)10-8-17/h7-10,13-14,16,23H,6,11-12,15H2,1-5H3,(H2,25,26,28)

InChI Key

LGAQGASBHADERR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818141

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

427.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.703

Distribution Coefficient, logD

0.756

Water Solubility, LogSw

-3.16

Polar Surface Area

60.195

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

V013-5508 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V013-5508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5508?
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What is the minimum amount of V013-5508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5508
  • 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 V013-5508 available by request