F405-0453 Screening compound: methyl 2-[7,8-dimethyl-4-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate

F405-0453 Screening compound: methyl 2-[7,8-dimethyl-4-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
F405-0453 Screening compound: methyl 2-[7,8-dimethyl-4-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F405-0453
methyl 2-[7,8-dimethyl-4-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-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

F405-0453

Molecular Formula

C23H25N3O3S (C23 H25 N3 O3 S)

Compound Name

methyl 2-[7,8-dimethyl-4-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate

IUPAC name

methyl 2-[78-dimethyl-4-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-15-benzodiazepin-2-yl]acetate

SMILES

Cc1cccc(NC(CSC2=Nc(cc(C)c(C)c3)c3NC(CC(OC)=O)=C2)=O)c1

InChI

InChI=1S/C23H25N3O3S/c1-14-6-5-7-17(8-14)25-21(27)13-30-22-11-18(12-23(28)29-4)24-19-9-15(2)16(3)10-20(19)26-22/h5-11,24H,12-13H2,1-4H3,(H,25,27)

InChI Key

YTVFMMDXAXPQJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.617

Distribution Coefficient, logD

4.616

Water Solubility, LogSw

-4.42

Polar Surface Area

64.904

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

F405-0453 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 F405-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F405-0453?
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What is the minimum amount of F405-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F405-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F405-0453
  • 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 F405-0453 available by request