D715-0892 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-indol-3-yl)butanamide

D715-0892 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-indol-3-yl)butanamide
D715-0892 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-indol-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-0892
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-indol-3-yl)butanamide

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

D715-0892

Molecular Formula

C20H20N2O3 (C20 H20 N2 O3)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-indol-3-yl)butanamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-(1H-indol-3-yl)butanamide

SMILES

O=C(CCCc1c[nH]c2c1cccc2)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H20N2O3/c23-20(22-15-8-9-18-19(12-15)25-11-10-24-18)7-3-4-14-13-21-17-6-2-1-5-16(14)17/h1-2,5-6,8-9,12-13,21H,3-4,7,10-11H2,(H,22,23)

InChI Key

OOEQIJAYUBGEJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09792565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.561

Distribution Coefficient, logD

2.560

Water Solubility, LogSw

-3.12

Polar Surface Area

48.810

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D715-0892 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D715-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-0892?
Check Price and Availability of D715-0892, 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 D715-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-0892
  • 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 D715-0892 available by request