D256-0136 Screening compound: methyl 2-(1-methanesulfonyl-2,3-dihydro-1H-indole-5-amido)-4,5-dimethoxybenzoate

D256-0136 Screening compound: methyl 2-(1-methanesulfonyl-2,3-dihydro-1H-indole-5-amido)-4,5-dimethoxybenzoate
D256-0136 Screening compound: methyl 2-(1-methanesulfonyl-2,3-dihydro-1H-indole-5-amido)-4,5-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D256-0136
methyl 2-(1-methanesulfonyl-2,3-dihydro-1H-indole-5-amido)-4,5-dimethoxybenzoate

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

D256-0136

Molecular Formula

C20H22N2O7S (C20 H22 N2 O7 S)

Compound Name

methyl 2-(1-methanesulfonyl-2,3-dihydro-1H-indole-5-amido)-4,5-dimethoxybenzoate

IUPAC name

methyl 2-(1-methanesulfonyl-23-dihydro-1H-indole-5-amido)-45-dimethoxybenzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1NC(c(cc1)cc(CC2)c1N2S(C)(=O)=O)=O)=O

InChI

InChI=1S/C20H22N2O7S/c1-27-17-10-14(20(24)29-3)15(11-18(17)28-2)21-19(23)13-5-6-16-12(9-13)7-8-22(16)30(4,25)26/h5-6,9-11H,7-8H2,1-4H3,(H,21,23)

InChI Key

BCHPNUONZCIDKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09191962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.923

Distribution Coefficient, logD

-0.217

Water Solubility, LogSw

-2.92

Polar Surface Area

90.349

Acid Dissociation Constant (pKa)

5.26

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D256-0136 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D256-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D256-0136?
Check Price and Availability of D256-0136, 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 D256-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D256-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D256-0136
  • 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 D256-0136 available by request