4130-4629 Screening compound: 1,3-dimethyl 5-(2,5-dichlorobenzamido)benzene-1,3-dicarboxylate

4130-4629 Screening compound: 1,3-dimethyl 5-(2,5-dichlorobenzamido)benzene-1,3-dicarboxylate
4130-4629 Screening compound: 1,3-dimethyl 5-(2,5-dichlorobenzamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-4629
1,3-dimethyl 5-(2,5-dichlorobenzamido)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

4130-4629

Molecular Formula

C17H13Cl2NO5 (C17 H13 Cl2 NO5)

Compound Name

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

IUPAC name

13-dimethyl 5-(25-dichlorobenzamido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c(cc(cc2)Cl)c2Cl)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C17H13Cl2NO5/c1-24-16(22)9-5-10(17(23)25-2)7-12(6-9)20-15(21)13-8-11(18)3-4-14(13)19/h3-8H,1-2H3,(H,20,21)

InChI Key

UTLQRNWORAZIIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01195529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.743

Distribution Coefficient, logD

4.683

Water Solubility, LogSw

-4.93

Polar Surface Area

65.677

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

4130-4629 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4130-4629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-4629?
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What is the minimum amount of 4130-4629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-4629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-4629
  • 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 4130-4629 available by request