V004-7017 Screening compound: 1-(4-fluorophenyl)-2-(furan-2-carbonyl)-7-{[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-1,2,3,4-tetrahydroisoquinoline

V004-7017 Screening compound: 1-(4-fluorophenyl)-2-(furan-2-carbonyl)-7-{[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-1,2,3,4-tetrahydroisoquinoline
V004-7017 Screening compound: 1-(4-fluorophenyl)-2-(furan-2-carbonyl)-7-{[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7017
1-(4-fluorophenyl)-2-(furan-2-carbonyl)-7-{[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-1,2,3,4-tetrahydroisoquinoline

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

V004-7017

Molecular Formula

C29H26FN3O5S (C29 H26 FN3 O5 S)

Compound Name

1-(4-fluorophenyl)-2-(furan-2-carbonyl)-7-{[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

1-(4-fluorophenyl)-2-(furan-2-carbonyl)-7-{[4-(morpholine-4-carbonyl)-13-thiazol-2-yl]methoxy}-1234-tetrahydroisoquinoline

SMILES

O=C(c1csc(COc2cc(C(c(cc3)ccc3F)N(CC3)C(c4ccco4)=O)c3cc2)n1)N1CCOCC1

InChI

InChI=1S/C29H26FN3O5S/c30-21-6-3-20(4-7-21)27-23-16-22(8-5-19(23)9-10-33(27)29(35)25-2-1-13-37-25)38-17-26-31-24(18-39-26)28(34)32-11-14-36-15-12-32/h1-8,13,16,18,27H,9-12,14-15,17H2/t27-/m0/s1

InChI Key

QWKZJNOMHNPLBV-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19917038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

4.332

Water Solubility, LogSw

-4.36

Polar Surface Area

66.725

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.59

V004-7017 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V004-7017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7017?
Check Price and Availability of V004-7017, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-7017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7017
  • 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 V004-7017 available by request