V003-3770 Screening compound: N-{4-[5-(2-fluorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide

V003-3770 Screening compound: N-{4-[5-(2-fluorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
V003-3770 Screening compound: N-{4-[5-(2-fluorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3770
N-{4-[5-(2-fluorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide

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

V003-3770

Molecular Formula

C24H20FN5O4 (C24 H20 FN5 O4)

Compound Name

N-{4-[5-(2-fluorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide

IUPAC name

N-{4-[5-(2-fluorophenyl)-3-(propan-2-yloxy)-1H-124-triazol-1-yl]phenyl}-3-nitrobenzamide

SMILES

CC(C)Oc(nc1-c(cccc2)c2F)nn1-c(cc1)ccc1NC(c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C24H20FN5O4/c1-15(2)34-24-27-22(20-8-3-4-9-21(20)25)29(28-24)18-12-10-17(11-13-18)26-23(31)16-6-5-7-19(14-16)30(32)33/h3-15H,1-2H3,(H,26,31)

InChI Key

SGTZKIJMXMUOTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782364

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.181

Distribution Coefficient, logD

5.180

Water Solubility, LogSw

-4.97

Polar Surface Area

86.965

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V003-3770 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V003-3770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3770?
Check Price and Availability of V003-3770, 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 V003-3770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3770
  • 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 V003-3770 available by request