2447-2647 Screening compound: methyl 4-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)formamido]prop-2-enamido]benzoate

2447-2647 Screening compound: methyl 4-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)formamido]prop-2-enamido]benzoate
2447-2647 Screening compound: methyl 4-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)formamido]prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2447-2647
methyl 4-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)formamido]prop-2-enamido]benzoate

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

2447-2647

Molecular Formula

C27H24N2O6 (C27 H24 N2 O6)

Compound Name

methyl 4-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)formamido]prop-2-enamido]benzoate

IUPAC name

methyl 4-[(2Z)-3-(2H-13-benzodioxol-5-yl)-2-[(34-dimethylphenyl)formamido]prop-2-enamido]benzoate

SMILES

Cc(cc1)c(C)cc1C(N/C(/C(Nc(cc1)ccc1C(OC)=O)=O)=C\c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C27H24N2O6/c1-16-4-6-20(12-17(16)2)25(30)29-22(13-18-5-11-23-24(14-18)35-15-34-23)26(31)28-21-9-7-19(8-10-21)27(32)33-3/h4-14H,15H2,1-3H3,(H,28,31)(H,29,30)

InChI Key

VXURMNZUDIZJDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.249

Distribution Coefficient, logD

5.034

Water Solubility, LogSw

-5.14

Polar Surface Area

83.543

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

2447-2647 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2447-2647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2447-2647?
Check Price and Availability of 2447-2647, 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 2447-2647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2447-2647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2447-2647
  • 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 2447-2647 available by request