F403-0176 Screening compound: N~1~-(3-bromophenyl)-2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide

F403-0176 Screening compound: N~1~-(3-bromophenyl)-2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide
F403-0176 Screening compound: N~1~-(3-bromophenyl)-2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F403-0176
N~1~-(3-bromophenyl)-2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide

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

F403-0176

Molecular Formula

C22H22BrN3O2 (C22 H22 BrN3 O2)

Compound Name

N~1~-(3-bromophenyl)-2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide

IUPAC name

N-(3-bromophenyl)-2-{1213-dimethyl-8-oxo-29-diazatricyclo[8.4.0.0^{37}]tetradeca-1(10)21113-tetraen-9-yl}acetamide

SMILES

Cc(c(C)c1)cc(N2CC(Nc3cccc(Br)c3)=O)c1N=C(CCC1)C1C2=O

InChI

InChI=1S/C22H22BrN3O2/c1-13-9-19-20(10-14(13)2)26(22(28)17-7-4-8-18(17)25-19)12-21(27)24-16-6-3-5-15(23)11-16/h3,5-6,9-11,17H,4,7-8,12H2,1-2H3,(H,24,27)/t17-/m0/s1

InChI Key

DZASKCWAVCWHDZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27124827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.585

Distribution Coefficient, logD

4.585

Water Solubility, LogSw

-4.38

Polar Surface Area

47.513

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

F403-0176 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F403-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F403-0176?
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What is the minimum amount of F403-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F403-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F403-0176
  • 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 F403-0176 available by request