5586-3348 Screening compound: 2-{[(3Z)-5-bromo-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-ethyl-3,4-dihydroquinazolin-4-one

5586-3348 Screening compound: 2-{[(3Z)-5-bromo-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-ethyl-3,4-dihydroquinazolin-4-one
5586-3348 Screening compound: 2-{[(3Z)-5-bromo-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-ethyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-3348
2-{[(3Z)-5-bromo-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-ethyl-3,4-dihydroquinazolin-4-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

5586-3348

Molecular Formula

C22H20BrN3O2 (C22 H20 BrN3 O2)

Compound Name

2-{[(3Z)-5-bromo-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-ethyl-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[(3Z)-5-bromo-2-oxo-1-propyl-23-dihydro-1H-indol-3-ylidene]methyl}-3-ethyl-34-dihydroquinazolin-4-one

SMILES

CCCN(c(ccc(Br)c1)c1/C1=C/C(N2CC)=Nc(cccc3)c3C2=O)C1=O

InChI

InChI=1S/C22H20BrN3O2/c1-3-11-26-19-10-9-14(23)12-16(19)17(22(26)28)13-20-24-18-8-6-5-7-15(18)21(27)25(20)4-2/h5-10,12-13H,3-4,11H2,1-2H3

InChI Key

JJDPQUKIGIAZRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01559159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.22

Polar Surface Area

40.921

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

5586-3348 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 5586-3348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-3348?
Check Price and Availability of 5586-3348, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5586-3348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-3348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-3348
  • 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 5586-3348 available by request