F403-0178 Screening compound: methyl 2-({2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetyl}amino)benzoate

F403-0178 Screening compound: methyl 2-({2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetyl}amino)benzoate
F403-0178 Screening compound: methyl 2-({2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F403-0178
methyl 2-({2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetyl}amino)benzoate

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

F403-0178

Molecular Formula

C24H25N3O4 (C24 H25 N3 O4)

Compound Name

methyl 2-({2-[6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrocyclopenta[b][1,5]benzodiazepin-9(1H)-yl]acetyl}amino)benzoate

IUPAC name

methyl 2-(2-{1213-dimethyl-8-oxo-29-diazatricyclo[8.4.0.0^{37}]tetradeca-1(10)21113-tetraen-9-yl}acetamido)benzoate

SMILES

Cc(c(C)c1)cc(N2CC(Nc(cccc3)c3C(OC)=O)=O)c1N=C(CCC1)C1C2=O

InChI

InChI=1S/C24H25N3O4/c1-14-11-20-21(12-15(14)2)27(23(29)16-8-6-10-18(16)25-20)13-22(28)26-19-9-5-4-7-17(19)24(30)31-3/h4-5,7,9,11-12,16H,6,8,10,13H2,1-3H3,(H,26,28)/t16-/m0/s1

InChI Key

KXCAFMYSDNAOHG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27124829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.502

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.80

Polar Surface Area

67.989

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F403-0178 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F403-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F403-0178?
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What is the minimum amount of F403-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F403-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F403-0178
  • 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 F403-0178 available by request