D009-0340 Screening compound: N-[(1Z)-3-(azepan-1-yl)-1-(1-ethyl-1H-indol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

D009-0340 Screening compound: N-[(1Z)-3-(azepan-1-yl)-1-(1-ethyl-1H-indol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
D009-0340 Screening compound: N-[(1Z)-3-(azepan-1-yl)-1-(1-ethyl-1H-indol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0340
N-[(1Z)-3-(azepan-1-yl)-1-(1-ethyl-1H-indol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

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

D009-0340

Molecular Formula

C27H31N3O3 (C27 H31 N3 O3)

Compound Name

N-[(1Z)-3-(azepan-1-yl)-1-(1-ethyl-1H-indol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

IUPAC name

N-[(1Z)-3-(azepan-1-yl)-1-(1-ethyl-1H-indol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

SMILES

CCn1c(cccc2)c2c(/C=C(/C(N2CCCCCC2)=O)\NC(c(cccc2)c2OC)=O)c1

InChI

InChI=1S/C27H31N3O3/c1-3-29-19-20(21-12-6-8-14-24(21)29)18-23(27(32)30-16-10-4-5-11-17-30)28-26(31)22-13-7-9-15-25(22)33-2/h6-9,12-15,18-19H,3-5,10-11,16-17H2,1-2H3,(H,28,31)

InChI Key

FGNUVNUABUDCHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.362

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-4.17

Polar Surface Area

48.501

Acid Dissociation Constant (pKa)

5.41

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D009-0340 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D009-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0340?
Check Price and Availability of D009-0340, 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 D009-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0340
  • 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 D009-0340 available by request