V013-9468 Screening compound: 3-ethyl-1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)urea

V013-9468 Screening compound: 3-ethyl-1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)urea
V013-9468 Screening compound: 3-ethyl-1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9468
3-ethyl-1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)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

V013-9468

Molecular Formula

C23H30FN3O3 (C23 H30 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCNC(NC(C)C1N(Cc(cc2)ccc2F)CCc(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C23H30FN3O3/c1-5-25-23(28)26-15(2)22-19-13-21(30-4)20(29-3)12-17(19)10-11-27(22)14-16-6-8-18(24)9-7-16/h6-9,12-13,15,22H,5,10-11,14H2,1-4H3,(H2,25,26,28)

InChI Key

BLIBMJBXWOMEPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19827206

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

415.51

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

2.750

Distribution Coefficient, logD

0.937

Water Solubility, LogSw

-3.19

Polar Surface Area

52.651

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

V013-9468 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 V013-9468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9468?
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What is the minimum amount of V013-9468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9468
  • 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 V013-9468 available by request