3654-0501 Screening compound: 1,3-dimethyl 5-[2-(2,4-dichlorophenoxy)acetamido]benzene-1,3-dicarboxylate

3654-0501 Screening compound: 1,3-dimethyl 5-[2-(2,4-dichlorophenoxy)acetamido]benzene-1,3-dicarboxylate
3654-0501 Screening compound: 1,3-dimethyl 5-[2-(2,4-dichlorophenoxy)acetamido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3654-0501
1,3-dimethyl 5-[2-(2,4-dichlorophenoxy)acetamido]benzene-1,3-dicarboxylate

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

3654-0501

Molecular Formula

C18H15Cl2NO6 (C18 H15 Cl2 NO6)

Compound Name

1,3-dimethyl 5-[2-(2,4-dichlorophenoxy)acetamido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[2-(24-dichlorophenoxy)acetamido]benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(COc(ccc(Cl)c2)c2Cl)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C18H15Cl2NO6/c1-25-17(23)10-5-11(18(24)26-2)7-13(6-10)21-16(22)9-27-15-4-3-12(19)8-14(15)20/h3-8H,9H2,1-2H3,(H,21,22)

InChI Key

IJQXEZMXZCDXAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01342280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.551

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-4.54

Polar Surface Area

73.050

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3654-0501 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3654-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3654-0501?
Check Price and Availability of 3654-0501, 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 3654-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3654-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3654-0501
  • 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 3654-0501 available by request