5060-0004 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-{2-[(4-methylphenyl)formamido]acetamido}acetate

5060-0004 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-{2-[(4-methylphenyl)formamido]acetamido}acetate
5060-0004 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-{2-[(4-methylphenyl)formamido]acetamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5060-0004
2-(4-chlorophenyl)-2-oxoethyl 2-{2-[(4-methylphenyl)formamido]acetamido}acetate

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

5060-0004

Molecular Formula

C20H19ClN2O5 (C20 H19 ClN2 O5)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 2-{2-[(4-methylphenyl)formamido]acetamido}acetate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 2-{2-[(4-methylphenyl)formamido]acetamido}acetate

SMILES

Cc(cc1)ccc1C(NCC(NCC(OCC(c(cc1)ccc1Cl)=O)=O)=O)=O

InChI

InChI=1S/C20H19ClN2O5/c1-13-2-4-15(5-3-13)20(27)23-10-18(25)22-11-19(26)28-12-17(24)14-6-8-16(21)9-7-14/h2-9H,10-12H2,1H3,(H,22,25)(H,23,27)

InChI Key

WAALIMMAEXBDTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06196154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.971

Distribution Coefficient, logD

2.971

Water Solubility, LogSw

-3.52

Polar Surface Area

82.904

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5060-0004 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 5060-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5060-0004?
Check Price and Availability of 5060-0004, 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 5060-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5060-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5060-0004
  • 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 5060-0004 available by request