3793-2036 Screening compound: (2E)-3-(dibenzylcarbamoyl)prop-2-enoic acid

3793-2036 Screening compound: (2E)-3-(dibenzylcarbamoyl)prop-2-enoic acid
3793-2036 Screening compound: (2E)-3-(dibenzylcarbamoyl)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-2036
(2E)-3-(dibenzylcarbamoyl)prop-2-enoic acid

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

3793-2036

Molecular Formula

C18H17NO3 (C18 H17 NO3)

Compound Name

(2E)-3-(dibenzylcarbamoyl)prop-2-enoic acid

IUPAC name

(2E)-3-(dibenzylcarbamoyl)prop-2-enoic acid

SMILES

OC(/C=C/C(N(Cc1ccccc1)Cc1ccccc1)=O)=O

InChI

InChI=1S/C18H17NO3/c20-17(11-12-18(21)22)19(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,21,22)

InChI Key

IKYXHWTZDKHFSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01593560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.589

Distribution Coefficient, logD

-1.256

Water Solubility, LogSw

-2.60

Polar Surface Area

44.306

Acid Dissociation Constant (pKa)

3.56

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3793-2036 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 3793-2036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-2036?
Check Price and Availability of 3793-2036, 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 3793-2036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-2036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-2036
  • 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 3793-2036 available by request