1310-0788 Screening compound: 4-(4-bromophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1H-1,5-benzodiazepine

1310-0788 Screening compound: 4-(4-bromophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
1310-0788 Screening compound: 4-(4-bromophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1310-0788
4-(4-bromophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1H-1,5-benzodiazepine

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

1310-0788

Molecular Formula

C21H16BrFN2 (C21 H16 BrFN2)

Compound Name

4-(4-bromophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1H-1,5-benzodiazepine

IUPAC name

4-(4-bromophenyl)-2-(4-fluorophenyl)-23-dihydro-1H-15-benzodiazepine

SMILES

Fc1ccc(C(C2)Nc(cccc3)c3N=C2c(cc2)ccc2Br)cc1

InChI

InChI=1S/C21H16BrFN2/c22-16-9-5-14(6-10-16)20-13-21(15-7-11-17(23)12-8-15)25-19-4-2-1-3-18(19)24-20/h1-12,21,25H,13H2/t21-/m0/s1

InChI Key

CGMFCTFVUUERRH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00374675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.27

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.752

Distribution Coefficient, logD

5.752

Water Solubility, LogSw

-6.21

Polar Surface Area

20.848

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

1310-0788 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 1310-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1310-0788?
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What is the minimum amount of 1310-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1310-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1310-0788
  • 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 1310-0788 available by request