Y040-9153 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide

Y040-9153 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide
Y040-9153 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9153
N-[2-(1H-indol-3-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-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

Y040-9153

Molecular Formula

C19H21N3O2 (C19 H21 N3 O2)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-4H5H6H7H8H-cyclohepta[d][12]oxazole-3-carboxamide

SMILES

O=C(c1noc2c1CCCCC2)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C19H21N3O2/c23-19(18-15-7-2-1-3-9-17(15)24-22-18)20-11-10-13-12-21-16-8-5-4-6-14(13)16/h4-6,8,12,21H,1-3,7,9-11H2,(H,20,23)

InChI Key

WVUSDFBHURBDTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.30

Polar Surface Area

57.095

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

Y040-9153 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-9153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9153?
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What is the minimum amount of Y040-9153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9153
  • 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 Y040-9153 available by request