4386-4397 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-ethyl-6-iodo-3,4-dihydroquinazolin-4-one

4386-4397 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-ethyl-6-iodo-3,4-dihydroquinazolin-4-one
4386-4397 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-ethyl-6-iodo-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-4397
2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-ethyl-6-iodo-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

4386-4397

Molecular Formula

C22H20IN3O (C22 H20 IN3 O)

Compound Name

2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-ethyl-6-iodo-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(1E)-2-(12-dimethyl-1H-indol-3-yl)ethenyl]-3-ethyl-6-iodo-34-dihydroquinazolin-4-one

SMILES

CCN(C(/C=C/c1c(C)n(C)c2c1cccc2)=Nc(cc1)c2cc1I)C2=O

InChI

InChI=1S/C22H20IN3O/c1-4-26-21(24-19-11-9-15(23)13-18(19)22(26)27)12-10-16-14(2)25(3)20-8-6-5-7-17(16)20/h5-13H,4H2,1-3H3

InChI Key

LDOQOHATDLAYSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02996701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.293

Distribution Coefficient, logD

5.293

Water Solubility, LogSw

-5.50

Polar Surface Area

27.484

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 4386-4397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-4397?
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What is the minimum amount of 4386-4397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-4397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-4397
  • 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 4386-4397 available by request