0277-0032 Screening compound: ethyl 2-(3-{4-[bis(2-chloroethyl)amino]phenyl}-2-acetamidopropanamido)-3-phenylpropanoate

0277-0032 Screening compound: ethyl 2-(3-{4-[bis(2-chloroethyl)amino]phenyl}-2-acetamidopropanamido)-3-phenylpropanoate
0277-0032 Screening compound: ethyl 2-(3-{4-[bis(2-chloroethyl)amino]phenyl}-2-acetamidopropanamido)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0277-0032
ethyl 2-(3-{4-[bis(2-chloroethyl)amino]phenyl}-2-acetamidopropanamido)-3-phenylpropanoate

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

0277-0032

Molecular Formula

C26H33Cl2N3O4 (C26 H33 Cl2 N3 O4)

Compound Name

ethyl 2-(3-{4-[bis(2-chloroethyl)amino]phenyl}-2-acetamidopropanamido)-3-phenylpropanoate

IUPAC name

ethyl 2-(3-{4-[bis(2-chloroethyl)amino]phenyl}-2-acetamidopropanamido)-3-phenylpropanoate

SMILES

CCOC(C(Cc1ccccc1)NC(C(Cc(cc1)ccc1N(CCCl)CCCl)NC(C)=O)=O)=O

InChI

InChI=1S/C26H33Cl2N3O4/c1-3-35-26(34)24(18-20-7-5-4-6-8-20)30-25(33)23(29-19(2)32)17-21-9-11-22(12-10-21)31(15-13-27)16-14-28/h4-12,23-24H,3,13-18H2,1-2H3,(H,29,32)(H,30,33)

InChI Key

SPTPIOQJNAVKCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-3.40

Polar Surface Area

72.494

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.30

0277-0032 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0277-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0277-0032?
Check Price and Availability of 0277-0032, 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 0277-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0277-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0277-0032
  • 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 0277-0032 available by request