2038-0222 Screening compound: (2E)-3-{4-methoxy-3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

2038-0222 Screening compound: (2E)-3-{4-methoxy-3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
2038-0222 Screening compound: (2E)-3-{4-methoxy-3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2038-0222
(2E)-3-{4-methoxy-3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

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

2038-0222

Molecular Formula

C25H17F3N4O4 (C25 H17 F3 N4 O4)

Compound Name

(2E)-3-{4-methoxy-3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-{4-methoxy-3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-(5-methyl-1H-13-benzodiazol-2-yl)prop-2-enenitrile

SMILES

Cc(cc1)cc2c1[nH]c(/C(/C#N)=C/c(cc1)cc(Oc(ccc(C(F)(F)F)c3)c3[N+]([O-])=O)c1OC)n2

InChI

InChI=1S/C25H17F3N4O4/c1-14-3-6-18-19(9-14)31-24(30-18)16(13-29)10-15-4-7-22(35-2)23(11-15)36-21-8-5-17(25(26,27)28)12-20(21)32(33)34/h3-12H,1-2H3,(H,30,31)

InChI Key

XARWCCSQQFEXSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01160796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.196

Distribution Coefficient, logD

6.195

Water Solubility, LogSw

-5.75

Polar Surface Area

83.946

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

2038-0222 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2038-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2038-0222?
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What is the minimum amount of 2038-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2038-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2038-0222
  • 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 2038-0222 available by request