0133-0072 Screening compound: 2-[(2Z)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]acetaldehyde

0133-0072 Screening compound: 2-[(2Z)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]acetaldehyde
0133-0072 Screening compound: 2-[(2Z)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]acetaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0072
2-[(2Z)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]acetaldehyde

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

0133-0072

Molecular Formula

C13H15NO (C13 H15 NO)

Compound Name

2-[(2Z)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]acetaldehyde

IUPAC name

2-[(2Z)-133-trimethyl-23-dihydro-1H-indol-2-ylidene]acetaldehyde

SMILES

CC1(C)c(cccc2)c2N(C)/C1=C\C=O

InChI

InChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3

InChI Key

GCECACVNILMTRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00035879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

201.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

2.331

Water Solubility, LogSw

-2.64

Polar Surface Area

15.614

Acid Dissociation Constant (pKa)

29.66

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

0133-0072 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0133-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0072?
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What is the minimum amount of 0133-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0072
  • 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 0133-0072 available by request