3937-0309 Screening compound: 1,4-dimethyl 2-(2H-1,3-benzodioxole-5-amido)benzene-1,4-dicarboxylate

3937-0309 Screening compound: 1,4-dimethyl 2-(2H-1,3-benzodioxole-5-amido)benzene-1,4-dicarboxylate
3937-0309 Screening compound: 1,4-dimethyl 2-(2H-1,3-benzodioxole-5-amido)benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3937-0309
1,4-dimethyl 2-(2H-1,3-benzodioxole-5-amido)benzene-1,4-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

3937-0309

Molecular Formula

C18H15NO7 (C18 H15 NO7)

Compound Name

1,4-dimethyl 2-(2H-1,3-benzodioxole-5-amido)benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-(2H-13-benzodioxole-5-amido)benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(c(cc2)cc3c2OCO3)=O)c1C(OC)=O)=O

InChI

InChI=1S/C18H15NO7/c1-23-17(21)11-3-5-12(18(22)24-2)13(7-11)19-16(20)10-4-6-14-15(8-10)26-9-25-14/h3-8H,9H2,1-2H3,(H,19,20)

InChI Key

RAKQDXOQMQTWPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01920180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.34

Polar Surface Area

82.095

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3937-0309 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 3937-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3937-0309?
Check Price and Availability of 3937-0309, 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 3937-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3937-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3937-0309
  • 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 3937-0309 available by request