0277-0033 Screening compound: ethyl 2-(3-{4-[bis(2-chloroethyl)amino]phenyl}-2-acetamidopropanamido)-4-methylpentanoate

0277-0033 Screening compound: ethyl 2-(3-{4-[bis(2-chloroethyl)amino]phenyl}-2-acetamidopropanamido)-4-methylpentanoate
0277-0033 Screening compound: ethyl 2-(3-{4-[bis(2-chloroethyl)amino]phenyl}-2-acetamidopropanamido)-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0277-0033
ethyl 2-(3-{4-[bis(2-chloroethyl)amino]phenyl}-2-acetamidopropanamido)-4-methylpentanoate

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

0277-0033

Molecular Formula

C23H35Cl2N3O4 (C23 H35 Cl2 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H35Cl2N3O4/c1-5-32-23(31)21(14-16(2)3)27-22(30)20(26-17(4)29)15-18-6-8-19(9-7-18)28(12-10-24)13-11-25/h6-9,16,20-21H,5,10-15H2,1-4H3,(H,26,29)(H,27,30)

InChI Key

GBPZYMBDOBODNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.45

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

3.277

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.38

Polar Surface Area

72.765

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.90

0277-0033 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 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:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 0277-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0277-0033?
Check Price and Availability of 0277-0033, 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 0277-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0277-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0277-0033
  • 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 0277-0033 available by request