2447-2652 Screening compound: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-(4-chloro-3-nitrophenyl)prop-2-enamide

2447-2652 Screening compound: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-(4-chloro-3-nitrophenyl)prop-2-enamide
2447-2652 Screening compound: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-(4-chloro-3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2447-2652
(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-(4-chloro-3-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

2447-2652

Molecular Formula

C23H15BrClN3O6 (C23 H15 BrClN3 O6)

Compound Name

(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-(4-chloro-3-nitrophenyl)prop-2-enamide

IUPAC name

(2Z)-3-(2H-13-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-(4-chloro-3-nitrophenyl)prop-2-enamide

SMILES

[O-][N+](c(cc(cc1)NC(/C(/NC(c(cc2)ccc2Br)=O)=C/c(cc2)cc3c2OCO3)=O)c1Cl)=O

InChI

InChI=1S/C23H15BrClN3O6/c24-15-4-2-14(3-5-15)22(29)27-18(9-13-1-8-20-21(10-13)34-12-33-20)23(30)26-16-6-7-17(25)19(11-16)28(31)32/h1-11H,12H2,(H,26,30)(H,27,29)

InChI Key

SQWVFADPKAZLSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.75

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.281

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-6.12

Polar Surface Area

95.450

Acid Dissociation Constant (pKa)

5.88

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2447-2652 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 2447-2652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2447-2652?
Check Price and Availability of 2447-2652, 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 2447-2652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2447-2652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2447-2652
  • 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 2447-2652 available by request