V004-5536 Screening compound: 4-chloro-N-{4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide

V004-5536 Screening compound: 4-chloro-N-{4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
V004-5536 Screening compound: 4-chloro-N-{4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5536
4-chloro-N-{4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-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

V004-5536

Molecular Formula

C26H21ClF3N5O5 (C26 H21 ClF3 N5 O5)

Compound Name

4-chloro-N-{4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide

IUPAC name

4-chloro-N-{4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl]phenyl}-3-nitrobenzamide

SMILES

CCOCCOc(nc1-c2ccc(C(F)(F)F)cc2)nn1-c(cc1)ccc1NC(c(cc1)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C26H21ClF3N5O5/c1-2-39-13-14-40-25-32-23(16-3-6-18(7-4-16)26(28,29)30)34(33-25)20-10-8-19(9-11-20)31-24(36)17-5-12-21(27)22(15-17)35(37)38/h3-12,15H,2,13-14H2,1H3,(H,31,36)

InChI Key

JKXYPJAAHPBNKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19749888

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

575.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.943

Distribution Coefficient, logD

5.933

Water Solubility, LogSw

-6.21

Polar Surface Area

95.257

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.23

V004-5536 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 V004-5536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5536?
Check Price and Availability of V004-5536, 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 V004-5536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5536
  • 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 V004-5536 available by request