2447-2967 Screening compound: (2Z)-2-[(4-butylphenyl)formamido]-3-(4-methylphenyl)-N-(4-nitrophenyl)prop-2-enamide

2447-2967 Screening compound: (2Z)-2-[(4-butylphenyl)formamido]-3-(4-methylphenyl)-N-(4-nitrophenyl)prop-2-enamide
2447-2967 Screening compound: (2Z)-2-[(4-butylphenyl)formamido]-3-(4-methylphenyl)-N-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2447-2967
(2Z)-2-[(4-butylphenyl)formamido]-3-(4-methylphenyl)-N-(4-nitrophenyl)prop-2-enamide

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

2447-2967

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

(2Z)-2-[(4-butylphenyl)formamido]-3-(4-methylphenyl)-N-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2Z)-2-[(4-butylphenyl)formamido]-3-(4-methylphenyl)-N-(4-nitrophenyl)prop-2-enamide

SMILES

CCCCc(cc1)ccc1C(N/C(/C(Nc(cc1)ccc1[N+]([O-])=O)=O)=C\c1ccc(C)cc1)=O

InChI

InChI=1S/C27H27N3O4/c1-3-4-5-20-10-12-22(13-11-20)26(31)29-25(18-21-8-6-19(2)7-9-21)27(32)28-23-14-16-24(17-15-23)30(33)34/h6-18H,3-5H2,1-2H3,(H,28,32)(H,29,31)

InChI Key

OTLHIBAKHMZTQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.594

Distribution Coefficient, logD

6.276

Water Solubility, LogSw

-5.65

Polar Surface Area

78.636

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

2447-2967 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2447-2967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2447-2967?
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What is the minimum amount of 2447-2967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2447-2967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2447-2967
  • 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 2447-2967 available by request