V028-4841 Screening compound: 3-ethyl-1-(1-{2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)urea

V028-4841 Screening compound: 3-ethyl-1-(1-{2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)urea
V028-4841 Screening compound: 3-ethyl-1-(1-{2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4841
3-ethyl-1-(1-{2-[(3-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

V028-4841

Molecular Formula

C23H30FN3O3 (C23 H30 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCNC(NC(C)C1N(Cc2cccc(F)c2)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)9-10-27(22)14-16-7-6-8-18(24)11-16/h6-8,11-13,15,22H,5,9-10,14H2,1-4H3,(H2,25,26,28)

InChI Key

GDBRGBITWYMNJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818133

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

2.843

Distribution Coefficient, logD

0.896

Water Solubility, LogSw

-3.33

Polar Surface Area

52.651

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

V028-4841 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V028-4841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4841?
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What is the minimum amount of V028-4841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4841
  • 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 V028-4841 available by request