Y032-3106 Screening compound: (E)-1-(2,3-dihydro-1H-indol-1-yl)-3-(2-nitrophenyl)-2-propen-1-one

Y032-3106 Screening compound: (E)-1-(2,3-dihydro-1H-indol-1-yl)-3-(2-nitrophenyl)-2-propen-1-one
Y032-3106 Screening compound: (E)-1-(2,3-dihydro-1H-indol-1-yl)-3-(2-nitrophenyl)-2-propen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-3106
(E)-1-(2,3-dihydro-1H-indol-1-yl)-3-(2-nitrophenyl)-2-propen-1-one

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

Y032-3106

Molecular Formula

C17H14N2O3 (C17 H14 N2 O3)

Compound Name

(E)-1-(2,3-dihydro-1H-indol-1-yl)-3-(2-nitrophenyl)-2-propen-1-one

IUPAC name

(2E)-1-(23-dihydro-1H-indol-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one

SMILES

[O-][N+](c1c(/C=C/C(N(CC2)c3c2cccc3)=O)cccc1)=O

InChI

InChI=1S/C17H14N2O3/c20-17(18-12-11-14-6-1-3-7-15(14)18)10-9-13-5-2-4-8-16(13)19(21)22/h1-10H,11-12H2

InChI Key

BVNGLDZPIYEPFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03638954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.55

Polar Surface Area

48.470

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

Y032-3106 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y032-3106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-3106?
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What is the minimum amount of Y032-3106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-3106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-3106
  • 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 Y032-3106 available by request