2628-3183 Screening compound: methyl 4-[(2E)-2-[(4-butoxyphenyl)formamido]-3-[4-(dimethylamino)phenyl]prop-2-enamido]benzoate

2628-3183 Screening compound: methyl 4-[(2E)-2-[(4-butoxyphenyl)formamido]-3-[4-(dimethylamino)phenyl]prop-2-enamido]benzoate
2628-3183 Screening compound: methyl 4-[(2E)-2-[(4-butoxyphenyl)formamido]-3-[4-(dimethylamino)phenyl]prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2628-3183
methyl 4-[(2E)-2-[(4-butoxyphenyl)formamido]-3-[4-(dimethylamino)phenyl]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

2628-3183

Molecular Formula

C30H33N3O5 (C30 H33 N3 O5)

Compound Name

methyl 4-[(2E)-2-[(4-butoxyphenyl)formamido]-3-[4-(dimethylamino)phenyl]prop-2-enamido]benzoate

IUPAC name

methyl 4-[(2E)-2-[(4-butoxyphenyl)formamido]-3-[4-(dimethylamino)phenyl]prop-2-enamido]benzoate

SMILES

CCCCOc(cc1)ccc1C(N/C(/C(Nc(cc1)ccc1C(OC)=O)=O)=C/c(cc1)ccc1N(C)C)=O

InChI

InChI=1S/C30H33N3O5/c1-5-6-19-38-26-17-11-22(12-18-26)28(34)32-27(20-21-7-15-25(16-8-21)33(2)3)29(35)31-24-13-9-23(10-14-24)30(36)37-4/h7-18,20H,5-6,19H2,1-4H3,(H,31,35)(H,32,34)

InChI Key

APMKZWGQTVVWOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.888

Distribution Coefficient, logD

5.829

Water Solubility, LogSw

-5.48

Polar Surface Area

76.650

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

2628-3183 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2628-3183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2628-3183?
Check Price and Availability of 2628-3183, 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 2628-3183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2628-3183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2628-3183
  • 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 2628-3183 available by request