4386-4391 Screening compound: 2-{[(3Z)-5-bromo-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-6-iodo-3-methyl-3,4-dihydroquinazolin-4-one

4386-4391 Screening compound: 2-{[(3Z)-5-bromo-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-6-iodo-3-methyl-3,4-dihydroquinazolin-4-one
4386-4391 Screening compound: 2-{[(3Z)-5-bromo-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-6-iodo-3-methyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-4391
2-{[(3Z)-5-bromo-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-6-iodo-3-methyl-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

4386-4391

Molecular Formula

C21H17BrIN3O2 (C21 H17 BrIN3 O2)

Compound Name

2-{[(3Z)-5-bromo-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-6-iodo-3-methyl-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[(3Z)-5-bromo-2-oxo-1-propyl-23-dihydro-1H-indol-3-ylidene]methyl}-6-iodo-3-methyl-34-dihydroquinazolin-4-one

SMILES

CCCN(c(ccc(Br)c1)c1/C1=C/C(N2C)=Nc(ccc(I)c3)c3C2=O)C1=O

InChI

InChI=1S/C21H17BrIN3O2/c1-3-8-26-18-7-4-12(22)9-14(18)15(21(26)28)11-19-24-17-6-5-13(23)10-16(17)20(27)25(19)2/h4-7,9-11H,3,8H2,1-2H3

InChI Key

BKANHPBZXOBEBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02994274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.366

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.40

Polar Surface Area

40.961

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

4386-4391 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4386-4391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-4391?
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What is the minimum amount of 4386-4391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-4391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-4391
  • 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 4386-4391 available by request