V030-8600 Screening compound: 1-[1-(3-fluorophenyl)-7-({5-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-methylpropan-1-one

V030-8600 Screening compound: 1-[1-(3-fluorophenyl)-7-({5-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-methylpropan-1-one
V030-8600 Screening compound: 1-[1-(3-fluorophenyl)-7-({5-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-methylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-8600
1-[1-(3-fluorophenyl)-7-({5-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-methylpropan-1-one

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

V030-8600

Molecular Formula

C32H36FN3O4 (C32 H36 FN3 O4)

Compound Name

1-[1-(3-fluorophenyl)-7-({5-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-methylpropan-1-one

IUPAC name

1-[1-(3-fluorophenyl)-7-({5-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1234-tetrahydroisoquinolin-2-yl]-2-methylpropan-1-one

SMILES

CC(C)C(N(CC1)C(c2cccc(F)c2)c2c1ccc(OCc1ccc(C(N3CCN(CC=C)CC3)=O)o1)c2)=O

InChI

InChI=1S/C32H36FN3O4/c1-4-13-34-15-17-35(18-16-34)32(38)29-11-10-27(40-29)21-39-26-9-8-23-12-14-36(31(37)22(2)3)30(28(23)20-26)24-6-5-7-25(33)19-24/h4-11,19-20,22,30H,1,12-18,21H2,2-3H3/t30-/m0/s1

InChI Key

FOFDZMKMUIUNME-PMERELPUSA-N

MDL Number (MFCD)

MFCD19918002

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.273

Distribution Coefficient, logD

5.233

Water Solubility, LogSw

-5.29

Polar Surface Area

51.640

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

V030-8600 in Drug Discovery

Included in Screening Libraries

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 V030-8600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-8600?
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What is the minimum amount of V030-8600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-8600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-8600
  • 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 V030-8600 available by request