D330-2162 Screening compound: 5-bromo-1-methyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one

D330-2162 Screening compound: 5-bromo-1-methyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one
D330-2162 Screening compound: 5-bromo-1-methyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D330-2162
5-bromo-1-methyl-3-[(4-methylphenyl)methyl]-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

D330-2162

Molecular Formula

C17H16BrNO (C17 H16 BrNO)

Compound Name

5-bromo-1-methyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

5-bromo-1-methyl-3-[(4-methylphenyl)methyl]-23-dihydro-1H-indol-2-one

SMILES

Cc1ccc(CC(c(cc(cc2)Br)c2N2C)C2=O)cc1

InChI

InChI=1S/C17H16BrNO/c1-11-3-5-12(6-4-11)9-15-14-10-13(18)7-8-16(14)19(2)17(15)20/h3-8,10,15H,9H2,1-2H3/t15-/m0/s1

InChI Key

QGENJHYAICJEMU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD13369968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.22

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.484

Distribution Coefficient, logD

4.483

Water Solubility, LogSw

-4.42

Polar Surface Area

15.473

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

D330-2162 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D330-2162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D330-2162?
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What is the minimum amount of D330-2162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D330-2162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D330-2162
  • 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 D330-2162 available by request