8004-8116 Screening compound: methyl 4-{[2-(2,4-dichlorophenoxy)acetyl]amino}butanoate

8004-8116 Screening compound: methyl 4-{[2-(2,4-dichlorophenoxy)acetyl]amino}butanoate
8004-8116 Screening compound: methyl 4-{[2-(2,4-dichlorophenoxy)acetyl]amino}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8116
methyl 4-{[2-(2,4-dichlorophenoxy)acetyl]amino}butanoate

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

8004-8116

Molecular Formula

C13H15Cl2NO4 (C13 H15 Cl2 NO4)

Compound Name

methyl 4-{[2-(2,4-dichlorophenoxy)acetyl]amino}butanoate

IUPAC name

methyl 4-[2-(24-dichlorophenoxy)acetamido]butanoate

SMILES

COC(CCCNC(COc(ccc(Cl)c1)c1Cl)=O)=O

InChI

InChI=1S/C13H15Cl2NO4/c1-19-13(18)3-2-6-16-12(17)8-20-11-5-4-9(14)7-10(11)15/h4-5,7H,2-3,6,8H2,1H3,(H,16,17)

InChI Key

QFSCTQCDCHQGPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00686921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.931

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-2.79

Polar Surface Area

52.716

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

8004-8116 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8004-8116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8116?
Check Price and Availability of 8004-8116, 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 8004-8116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8116
  • 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 8004-8116 available by request