F405-0082 Screening compound: methyl 2-[4-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate

F405-0082 Screening compound: methyl 2-[4-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
F405-0082 Screening compound: methyl 2-[4-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F405-0082
methyl 2-[4-({[(propan-2-yl)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

F405-0082

Molecular Formula

C17H21N3O3S (C17 H21 N3 O3 S)

Compound Name

methyl 2-[4-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate

IUPAC name

methyl 2-[4-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)-1H-15-benzodiazepin-2-yl]acetate

SMILES

CC(C)NC(CSC1=Nc(cccc2)c2NC(CC(OC)=O)=C1)=O

InChI

InChI=1S/C17H21N3O3S/c1-11(2)18-15(21)10-24-16-8-12(9-17(22)23-3)19-13-6-4-5-7-14(13)20-16/h4-8,11,19H,9-10H2,1-3H3,(H,18,21)

InChI Key

MRRKYWBHEDETOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

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

2.084

Distribution Coefficient, logD

2.084

Water Solubility, LogSw

-2.65

Polar Surface Area

65.472

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

F405-0082 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F405-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F405-0082?
Check Price and Availability of F405-0082, 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 F405-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F405-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F405-0082
  • 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 F405-0082 available by request