8009-8176 Screening compound: 3-(3,7-diphenyl-4H-1,2-diazepin-5-yl)-1H-indole

8009-8176 Screening compound: 3-(3,7-diphenyl-4H-1,2-diazepin-5-yl)-1H-indole
8009-8176 Screening compound: 3-(3,7-diphenyl-4H-1,2-diazepin-5-yl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8176
3-(3,7-diphenyl-4H-1,2-diazepin-5-yl)-1H-indole

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

8009-8176

Molecular Formula

C25H19N3 (C25 H19 N3)

Compound Name

3-(3,7-diphenyl-4H-1,2-diazepin-5-yl)-1H-indole

IUPAC name

3-(37-diphenyl-4H-12-diazepin-5-yl)-1H-indole

SMILES

C(C(c1c[nH]c2c1cccc2)=C1)C(c2ccccc2)=NN=C1c1ccccc1

InChI

InChI=1S/C25H19N3/c1-3-9-18(10-4-1)24-15-20(22-17-26-23-14-8-7-13-21(22)23)16-25(28-27-24)19-11-5-2-6-12-19/h1-15,17,26H,16H2

InChI Key

IWSVCOFVLNHLFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.339

Distribution Coefficient, logD

6.339

Water Solubility, LogSw

-6.56

Polar Surface Area

29.827

Acid Dissociation Constant (pKa)

17.68

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

8009-8176 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-8176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8176?
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What is the minimum amount of 8009-8176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8176
  • 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 8009-8176 available by request