V030-4318 Screening compound: 4-fluoro-N-(4-{3-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbenzamide

V030-4318 Screening compound: 4-fluoro-N-(4-{3-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbenzamide
V030-4318 Screening compound: 4-fluoro-N-(4-{3-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4318
4-fluoro-N-(4-{3-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbenzamide

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

V030-4318

Molecular Formula

C30H24F2N4O3 (C30 H24 F2 N4 O3)

Compound Name

4-fluoro-N-(4-{3-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbenzamide

IUPAC name

4-fluoro-N-(4-{3-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-1H-124-triazol-1-yl}phenyl)-3-methylbenzamide

SMILES

Cc(cc(cc1)C(Nc(cc2)ccc2-n(c(-c(cc2)ccc2OC)n2)nc2OCc(cc2)ccc2F)=O)c1F

InChI

InChI=1S/C30H24F2N4O3/c1-19-17-22(7-16-27(19)32)29(37)33-24-10-12-25(13-11-24)36-28(21-5-14-26(38-2)15-6-21)34-30(35-36)39-18-20-3-8-23(31)9-4-20/h3-17H,18H2,1-2H3,(H,33,37)

InChI Key

PGLWVHMURNLVOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784318

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.778

Distribution Coefficient, logD

6.776

Water Solubility, LogSw

-5.65

Polar Surface Area

61.553

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V030-4318 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-4318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4318?
Check Price and Availability of V030-4318, 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 V030-4318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4318
  • 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 V030-4318 available by request