D009-0414 Screening compound: (2Z)-N-benzyl-3-(1-ethyl-1H-indol-3-yl)-2-[(furan-2-yl)formamido]prop-2-enamide

D009-0414 Screening compound: (2Z)-N-benzyl-3-(1-ethyl-1H-indol-3-yl)-2-[(furan-2-yl)formamido]prop-2-enamide
D009-0414 Screening compound: (2Z)-N-benzyl-3-(1-ethyl-1H-indol-3-yl)-2-[(furan-2-yl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0414
(2Z)-N-benzyl-3-(1-ethyl-1H-indol-3-yl)-2-[(furan-2-yl)formamido]prop-2-enamide

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

D009-0414

Molecular Formula

C25H23N3O3 (C25 H23 N3 O3)

Compound Name

(2Z)-N-benzyl-3-(1-ethyl-1H-indol-3-yl)-2-[(furan-2-yl)formamido]prop-2-enamide

IUPAC name

(2Z)-N-benzyl-3-(1-ethyl-1H-indol-3-yl)-2-[(furan-2-yl)formamido]prop-2-enamide

SMILES

CCn1c(cccc2)c2c(/C=C(/C(NCc2ccccc2)=O)\NC(c2ccco2)=O)c1

InChI

InChI=1S/C25H23N3O3/c1-2-28-17-19(20-11-6-7-12-22(20)28)15-21(27-25(30)23-13-8-14-31-23)24(29)26-16-18-9-4-3-5-10-18/h3-15,17H,2,16H2,1H3,(H,26,29)(H,27,30)

InChI Key

KVXQMUTUIVMCNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.545

Water Solubility, LogSw

-3.74

Polar Surface Area

56.883

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D009-0414 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 D009-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0414?
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What is the minimum amount of D009-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0414
  • 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 D009-0414 available by request