D075-0035 Screening compound: (2E)-N-benzyl-3-(4-tert-butylphenyl)-N-(pyridin-2-yl)prop-2-enamide

D075-0035 Screening compound: (2E)-N-benzyl-3-(4-tert-butylphenyl)-N-(pyridin-2-yl)prop-2-enamide
D075-0035 Screening compound: (2E)-N-benzyl-3-(4-tert-butylphenyl)-N-(pyridin-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D075-0035
(2E)-N-benzyl-3-(4-tert-butylphenyl)-N-(pyridin-2-yl)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

D075-0035

Molecular Formula

C25H26N2O (C25 H26 N2 O)

Compound Name

(2E)-N-benzyl-3-(4-tert-butylphenyl)-N-(pyridin-2-yl)prop-2-enamide

IUPAC name

(2E)-N-benzyl-3-(4-tert-butylphenyl)-N-(pyridin-2-yl)prop-2-enamide

SMILES

CC(C)(C)c1ccc(/C=C/C(N(Cc2ccccc2)c2ncccc2)=O)cc1

InChI

InChI=1S/C25H26N2O/c1-25(2,3)22-15-12-20(13-16-22)14-17-24(28)27(23-11-7-8-18-26-23)19-21-9-5-4-6-10-21/h4-18H,19H2,1-3H3

InChI Key

ZUKHPBJIEVREGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.445

Distribution Coefficient, logD

6.445

Water Solubility, LogSw

-5.75

Polar Surface Area

23.573

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D075-0035 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D075-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D075-0035?
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What is the minimum amount of D075-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D075-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D075-0035
  • 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 D075-0035 available by request