2447-3001 Screening compound: (2Z)-3-(4-bromophenyl)-2-[(4-butoxyphenyl)formamido]-N-(2-chlorophenyl)prop-2-enamide

2447-3001 Screening compound: (2Z)-3-(4-bromophenyl)-2-[(4-butoxyphenyl)formamido]-N-(2-chlorophenyl)prop-2-enamide
2447-3001 Screening compound: (2Z)-3-(4-bromophenyl)-2-[(4-butoxyphenyl)formamido]-N-(2-chlorophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2447-3001
(2Z)-3-(4-bromophenyl)-2-[(4-butoxyphenyl)formamido]-N-(2-chlorophenyl)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

2447-3001

Molecular Formula

C26H24BrClN2O3 (C26 H24 BrClN2 O3)

Compound Name

(2Z)-3-(4-bromophenyl)-2-[(4-butoxyphenyl)formamido]-N-(2-chlorophenyl)prop-2-enamide

IUPAC name

(2Z)-3-(4-bromophenyl)-2-[(4-butoxyphenyl)formamido]-N-(2-chlorophenyl)prop-2-enamide

SMILES

CCCCOc(cc1)ccc1C(N/C(/C(Nc(cccc1)c1Cl)=O)=C\c(cc1)ccc1Br)=O

InChI

InChI=1S/C26H24BrClN2O3/c1-2-3-16-33-21-14-10-19(11-15-21)25(31)30-24(17-18-8-12-20(27)13-9-18)26(32)29-23-7-5-4-6-22(23)28/h4-15,17H,2-3,16H2,1H3,(H,29,32)(H,30,31)

InChI Key

YKHVMCRPMAJUQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.790

Distribution Coefficient, logD

6.432

Water Solubility, LogSw

-6.38

Polar Surface Area

51.974

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2447-3001 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 2447-3001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2447-3001?
Check Price and Availability of 2447-3001, 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 2447-3001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2447-3001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2447-3001
  • 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 2447-3001 available by request