3331-3169 Screening compound: (3E)-5-bromo-3-[(2,6-dimethylphenyl)imino]-2,3-dihydro-1H-indol-2-one

3331-3169 Screening compound: (3E)-5-bromo-3-[(2,6-dimethylphenyl)imino]-2,3-dihydro-1H-indol-2-one
3331-3169 Screening compound: (3E)-5-bromo-3-[(2,6-dimethylphenyl)imino]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-3169
(3E)-5-bromo-3-[(2,6-dimethylphenyl)imino]-2,3-dihydro-1H-indol-2-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

3331-3169

Molecular Formula

C16H13BrN2O (C16 H13 BrN2 O)

Compound Name

(3E)-5-bromo-3-[(2,6-dimethylphenyl)imino]-2,3-dihydro-1H-indol-2-one

IUPAC name

(3E)-5-bromo-3-[(26-dimethylphenyl)imino]-23-dihydro-1H-indol-2-one

SMILES

Cc1cccc(C)c1/N=C(\c(cc(cc1)Br)c1N1)/C1=O

InChI

InChI=1S/C16H13BrN2O/c1-9-4-3-5-10(2)14(9)19-15-12-8-11(17)6-7-13(12)18-16(15)20/h3-8H,1-2H3,(H,18,19,20)

InChI Key

PNLYMVJJFSTPHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.128

Distribution Coefficient, logD

4.128

Water Solubility, LogSw

-4.29

Polar Surface Area

30.822

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3331-3169 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3331-3169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-3169?
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What is the minimum amount of 3331-3169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-3169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-3169
  • 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 3331-3169 available by request