F403-0196 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide

F403-0196 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide
F403-0196 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-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 F403-0196
N~1~-(3-chloro-4-fluorophenyl)-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

F403-0196

Molecular Formula

C22H21ClFN3O2 (C22 H21 ClFN3 O2)

Compound Name

N~1~-(3-chloro-4-fluorophenyl)-2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-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(Nc(cc3)cc(Cl)c3F)=O)c1N=C(CCC1)C1C2=O

InChI

InChI=1S/C22H21ClFN3O2/c1-12-8-19-20(9-13(12)2)27(22(29)15-4-3-5-18(15)26-19)11-21(28)25-14-6-7-17(24)16(23)10-14/h6-10,15H,3-5,11H2,1-2H3,(H,25,28)/t15-/m0/s1

InChI Key

RNBFRHXAPJJILY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27124845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.88

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

4.507

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.58

Polar Surface Area

47.513

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

F403-0196 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F403-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F403-0196?
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What is the minimum amount of F403-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F403-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F403-0196
  • 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 F403-0196 available by request