4553-4901 Screening compound: (2Z)-3-(2-methyl-2H-chromen-3-yl)-2-[(4-methylphenyl)formamido]-N-[(pyridin-3-yl)methyl]prop-2-enamide

4553-4901 Screening compound: (2Z)-3-(2-methyl-2H-chromen-3-yl)-2-[(4-methylphenyl)formamido]-N-[(pyridin-3-yl)methyl]prop-2-enamide
4553-4901 Screening compound: (2Z)-3-(2-methyl-2H-chromen-3-yl)-2-[(4-methylphenyl)formamido]-N-[(pyridin-3-yl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4553-4901
(2Z)-3-(2-methyl-2H-chromen-3-yl)-2-[(4-methylphenyl)formamido]-N-[(pyridin-3-yl)methyl]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

4553-4901

Molecular Formula

C27H25N3O3 (C27 H25 N3 O3)

Compound Name

(2Z)-3-(2-methyl-2H-chromen-3-yl)-2-[(4-methylphenyl)formamido]-N-[(pyridin-3-yl)methyl]prop-2-enamide

IUPAC name

(2Z)-3-(2-methyl-2H-chromen-3-yl)-2-[(4-methylphenyl)formamido]-N-[(pyridin-3-yl)methyl]prop-2-enamide

SMILES

CC1Oc(cccc2)c2C=C1/C=C(/C(NCc1cnccc1)=O)\NC(c1ccc(C)cc1)=O

InChI

InChI=1S/C27H25N3O3/c1-18-9-11-21(12-10-18)26(31)30-24(27(32)29-17-20-6-5-13-28-16-20)15-23-14-22-7-3-4-8-25(22)33-19(23)2/h3-16,19H,17H2,1-2H3,(H,29,32)(H,30,31)/t19-/m0/s1

InChI Key

HICXIJXVEJHKJH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03447758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.069

Distribution Coefficient, logD

2.440

Water Solubility, LogSw

-3.90

Polar Surface Area

63.746

Acid Dissociation Constant (pKa)

5.78

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

4553-4901 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4553-4901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4553-4901?
Check Price and Availability of 4553-4901, 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 4553-4901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4553-4901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4553-4901
  • 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 4553-4901 available by request