8011-4682 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-2-[(3Z)-1-[(2-fluorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetonitrile

8011-4682 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-2-[(3Z)-1-[(2-fluorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetonitrile
8011-4682 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-2-[(3Z)-1-[(2-fluorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4682
2-(1H-1,3-benzodiazol-2-yl)-2-[(3Z)-1-[(2-fluorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetonitrile

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

8011-4682

Molecular Formula

C24H15FN4O (C24 H15 FN4 O)

Compound Name

2-(1H-1,3-benzodiazol-2-yl)-2-[(3Z)-1-[(2-fluorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetonitrile

IUPAC name

2-(1H-13-benzodiazol-2-yl)-2-[(3Z)-1-[(2-fluorophenyl)methyl]-2-oxo-23-dihydro-1H-indol-3-ylidene]acetonitrile

SMILES

N#C/C(/c1nc(cccc2)c2[nH]1)=C(\c(cccc1)c1N1Cc(cccc2)c2F)/C1=O

InChI

InChI=1S/C24H15FN4O/c25-18-9-3-1-7-15(18)14-29-21-12-6-2-8-16(21)22(24(29)30)17(13-26)23-27-19-10-4-5-11-20(19)28-23/h1-12H,14H2,(H,27,28)

InChI Key

INLBXJJMVRRLTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01995646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.507

Distribution Coefficient, logD

4.497

Water Solubility, LogSw

-4.56

Polar Surface Area

51.783

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

References: we are preparing a list of scientific research reports with 8011-4682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4682?
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What is the minimum amount of 8011-4682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4682
  • 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 8011-4682 available by request