D103-2300 Screening compound: 4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-chromene-2-carboxamide

D103-2300 Screening compound: 4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-chromene-2-carboxamide
D103-2300 Screening compound: 4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-2300
4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-chromene-2-carboxamide

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

D103-2300

Molecular Formula

C24H24N2O5S (C24 H24 N2 O5 S)

Compound Name

4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-chromene-2-carboxamide

IUPAC name

4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4567-tetrahydro-1-benzothiophen-2-yl)-4H-chromene-2-carboxamide

SMILES

O=C(c1c(NC(C(Oc2c3cccc2)=CC3=O)=O)sc2c1CCCC2)NCC1OCCC1

InChI

InChI=1S/C24H24N2O5S/c27-17-12-19(31-18-9-3-1-7-15(17)18)22(28)26-24-21(16-8-2-4-10-20(16)32-24)23(29)25-13-14-6-5-11-30-14/h1,3,7,9,12,14H,2,4-6,8,10-11,13H2,(H,25,29)(H,26,28)/t14-/m1/s1

InChI Key

KHNUMZJIJGCTFT-CQSZACIVSA-N

MDL Number (MFCD)

MFCD06648990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.201

Distribution Coefficient, logD

0.765

Water Solubility, LogSw

-3.92

Polar Surface Area

77.931

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D103-2300 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 D103-2300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-2300?
Check Price and Availability of D103-2300, 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 D103-2300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-2300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-2300
  • 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 D103-2300 available by request