1778-0862 Screening compound: methyl 4-[4-(2,4-dichlorophenoxy)butanamido]benzoate

1778-0862 Screening compound: methyl 4-[4-(2,4-dichlorophenoxy)butanamido]benzoate
1778-0862 Screening compound: methyl 4-[4-(2,4-dichlorophenoxy)butanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-0862
methyl 4-[4-(2,4-dichlorophenoxy)butanamido]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

1778-0862

Molecular Formula

C18H17Cl2NO4 (C18 H17 Cl2 NO4)

Compound Name

methyl 4-[4-(2,4-dichlorophenoxy)butanamido]benzoate

IUPAC name

methyl 4-[4-(24-dichlorophenoxy)butanamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CCCOc(ccc(Cl)c1)c1Cl)=O)=O

InChI

InChI=1S/C18H17Cl2NO4/c1-24-18(23)12-4-7-14(8-5-12)21-17(22)3-2-10-25-16-9-6-13(19)11-15(16)20/h4-9,11H,2-3,10H2,1H3,(H,21,22)

InChI Key

CFQDGUBGISEANG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00589567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.24

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

4.326

Distribution Coefficient, logD

4.326

Water Solubility, LogSw

-4.43

Polar Surface Area

51.794

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1778-0862 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1778-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-0862?
Check Price and Availability of 1778-0862, 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 1778-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-0862
  • 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 1778-0862 available by request