F404-0514 Screening compound: methyl 2-(5-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate

F404-0514 Screening compound: methyl 2-(5-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
F404-0514 Screening compound: methyl 2-(5-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F404-0514
methyl 2-(5-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate

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

F404-0514

Molecular Formula

C23H24ClN3O5 (C23 H24 ClN3 O5)

Compound Name

methyl 2-(5-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate

IUPAC name

methyl 2-(5-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-78-dimethyl-4-oxo-45-dihydro-1H-15-benzodiazepin-2-yl)acetate

SMILES

Cc(c(C)c1)cc(NC(CC(OC)=O)=C2)c1N(CC(Nc(cc1)cc(Cl)c1OC)=O)C2=O

InChI

InChI=1S/C23H24ClN3O5/c1-13-7-18-19(8-14(13)2)27(22(29)10-16(25-18)11-23(30)32-4)12-21(28)26-15-5-6-20(31-3)17(24)9-15/h5-10,25H,11-12H2,1-4H3,(H,26,28)

InChI Key

DOFJWJIVCIHMIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.885

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-4.21

Polar Surface Area

78.935

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

F404-0514 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 F404-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F404-0514?
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What is the minimum amount of F404-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F404-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F404-0514
  • 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 F404-0514 available by request