2733-3828 Screening compound: (2Z)-N-(4-bromo-3-methylphenyl)-2-(cyclohexylformamido)-3-(3-nitrophenyl)prop-2-enamide

2733-3828 Screening compound: (2Z)-N-(4-bromo-3-methylphenyl)-2-(cyclohexylformamido)-3-(3-nitrophenyl)prop-2-enamide
2733-3828 Screening compound: (2Z)-N-(4-bromo-3-methylphenyl)-2-(cyclohexylformamido)-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2733-3828
(2Z)-N-(4-bromo-3-methylphenyl)-2-(cyclohexylformamido)-3-(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

2733-3828

Molecular Formula

C23H24BrN3O4 (C23 H24 BrN3 O4)

Compound Name

(2Z)-N-(4-bromo-3-methylphenyl)-2-(cyclohexylformamido)-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2Z)-N-(4-bromo-3-methylphenyl)-2-(cyclohexylformamido)-3-(3-nitrophenyl)prop-2-enamide

SMILES

Cc(cc(cc1)NC(/C(/NC(C2CCCCC2)=O)=C/c2cc([N+]([O-])=O)ccc2)=O)c1Br

InChI

InChI=1S/C23H24BrN3O4/c1-15-12-18(10-11-20(15)24)25-23(29)21(26-22(28)17-7-3-2-4-8-17)14-16-6-5-9-19(13-16)27(30)31/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,25,29)(H,26,28)

InChI Key

PCOFEXQQMSBWKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.552

Distribution Coefficient, logD

5.346

Water Solubility, LogSw

-5.30

Polar Surface Area

78.828

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

2733-3828 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2733-3828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2733-3828?
Check Price and Availability of 2733-3828, 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 2733-3828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2733-3828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2733-3828
  • 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 2733-3828 available by request