F403-0094 Screening compound: N~1~-(3-methoxybenzyl)-2-[10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide

F403-0094 Screening compound: N~1~-(3-methoxybenzyl)-2-[10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide
F403-0094 Screening compound: N~1~-(3-methoxybenzyl)-2-[10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F403-0094
N~1~-(3-methoxybenzyl)-2-[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

F403-0094

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CNC(CN(c(cccc2)c2N=C2C3CCC2)C3=O)=O)c1

InChI

InChI=1S/C22H23N3O3/c1-28-16-7-4-6-15(12-16)13-23-21(26)14-25-20-11-3-2-9-19(20)24-18-10-5-8-17(18)22(25)27/h2-4,6-7,9,11-12,17H,5,8,10,13-14H2,1H3,(H,23,26)/t17-/m0/s1

InChI Key

JZQBOABJFQVOEK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27124777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.515

Distribution Coefficient, logD

2.515

Water Solubility, LogSw

-2.79

Polar Surface Area

56.379

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

F403-0094 in Drug Discovery

Included in Screening Libraries

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 F403-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F403-0094?
Check Price and Availability of F403-0094, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F403-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F403-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F403-0094
  • 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 F403-0094 available by request