4130-6060 Screening compound: 1,3-dimethyl 5-(2-phenoxyacetamido)benzene-1,3-dicarboxylate

4130-6060 Screening compound: 1,3-dimethyl 5-(2-phenoxyacetamido)benzene-1,3-dicarboxylate
4130-6060 Screening compound: 1,3-dimethyl 5-(2-phenoxyacetamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-6060
1,3-dimethyl 5-(2-phenoxyacetamido)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

4130-6060

Molecular Formula

C18H17NO6 (C18 H17 NO6)

Compound Name

1,3-dimethyl 5-(2-phenoxyacetamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(2-phenoxyacetamido)benzene-13-dicarboxylate

SMILES

COC(c1cc(C(OC)=O)cc(NC(COc2ccccc2)=O)c1)=O

InChI

InChI=1S/C18H17NO6/c1-23-17(21)12-8-13(18(22)24-2)10-14(9-12)19-16(20)11-25-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,19,20)

InChI Key

DLEFVDAXTUHWQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01356829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.34

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

3.515

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.60

Polar Surface Area

72.963

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4130-6060 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with 4130-6060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-6060?
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What is the minimum amount of 4130-6060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-6060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-6060
  • 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 4130-6060 available by request