2733-3826 Screening compound: (2Z)-N-cyclohexyl-2-(cyclohexylformamido)-3-(3-nitrophenyl)prop-2-enamide

2733-3826 Screening compound: (2Z)-N-cyclohexyl-2-(cyclohexylformamido)-3-(3-nitrophenyl)prop-2-enamide
2733-3826 Screening compound: (2Z)-N-cyclohexyl-2-(cyclohexylformamido)-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2733-3826
(2Z)-N-cyclohexyl-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

2733-3826

Molecular Formula

C22H29N3O4 (C22 H29 N3 O4)

Compound Name

(2Z)-N-cyclohexyl-2-(cyclohexylformamido)-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2Z)-N-cyclohexyl-2-(cyclohexylformamido)-3-(3-nitrophenyl)prop-2-enamide

SMILES

[O-][N+](c1cc(/C=C(/C(NC2CCCCC2)=O)\NC(C2CCCCC2)=O)ccc1)=O

InChI

InChI=1S/C22H29N3O4/c26-21(17-9-3-1-4-10-17)24-20(22(27)23-18-11-5-2-6-12-18)15-16-8-7-13-19(14-16)25(28)29/h7-8,13-15,17-18H,1-6,9-12H2,(H,23,27)(H,24,26)

InChI Key

ACVQSIHQUZXTGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

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

4.318

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-4.35

Polar Surface Area

79.875

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

2733-3826 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2733-3826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2733-3826?
Check Price and Availability of 2733-3826, 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 2733-3826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2733-3826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2733-3826
  • 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 2733-3826 available by request