7840-3285 Screening compound: (2E)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide

7840-3285 Screening compound: (2E)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
7840-3285 Screening compound: (2E)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-3285
(2E)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-[4-(propan-2-yl)phenyl]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

7840-3285

Molecular Formula

C27H26N2O2 (C27 H26 N2 O2)

Compound Name

(2E)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide

IUPAC name

(2E)-N-[2-methyl-5-(5-methyl-13-benzoxazol-2-yl)phenyl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide

SMILES

CC(C)c1ccc(/C=C/C(Nc2c(C)ccc(-c3nc(cc(C)cc4)c4o3)c2)=O)cc1

InChI

InChI=1S/C27H26N2O2/c1-17(2)21-11-7-20(8-12-21)9-14-26(30)28-23-16-22(10-6-19(23)4)27-29-24-15-18(3)5-13-25(24)31-27/h5-17H,1-4H3,(H,28,30)

InChI Key

ZDSAWCZDFRWLOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05850678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.093

Distribution Coefficient, logD

7.093

Water Solubility, LogSw

-5.60

Polar Surface Area

39.229

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

7840-3285 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7840-3285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-3285?
Check Price and Availability of 7840-3285, 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 7840-3285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-3285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-3285
  • 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 7840-3285 available by request