V031-0513 Screening compound: 1-(3-fluorophenyl)-3-{[5-(3-fluorophenyl)isoquinolin-8-yl]methyl}urea

V031-0513 Screening compound: 1-(3-fluorophenyl)-3-{[5-(3-fluorophenyl)isoquinolin-8-yl]methyl}urea
V031-0513 Screening compound: 1-(3-fluorophenyl)-3-{[5-(3-fluorophenyl)isoquinolin-8-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0513
1-(3-fluorophenyl)-3-{[5-(3-fluorophenyl)isoquinolin-8-yl]methyl}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

V031-0513

Molecular Formula

C23H17F2N3O (C23 H17 F2 N3 O)

Compound Name

1-(3-fluorophenyl)-3-{[5-(3-fluorophenyl)isoquinolin-8-yl]methyl}urea

IUPAC name

1-(3-fluorophenyl)-3-{[5-(3-fluorophenyl)isoquinolin-8-yl]methyl}urea

SMILES

O=C(NCc1ccc(-c2cc(F)ccc2)c2ccncc12)Nc1cccc(F)c1

InChI

InChI=1S/C23H17F2N3O/c24-17-4-1-3-15(11-17)20-8-7-16(22-14-26-10-9-21(20)22)13-27-23(29)28-19-6-2-5-18(25)12-19/h1-12,14H,13H2,(H2,27,28,29)

InChI Key

MMYOTEOGHGWEAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842443

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

389.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.495

Distribution Coefficient, logD

5.495

Water Solubility, LogSw

-5.73

Polar Surface Area

42.838

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.35

V031-0513 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Cardiovascular Library (22201 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V031-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0513?
Check Price and Availability of V031-0513, 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 V031-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0513
  • 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 V031-0513 available by request