L389-0417 Screening compound: 2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

L389-0417 Screening compound: 2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
L389-0417 Screening compound: 2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L389-0417
2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]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

L389-0417

Molecular Formula

C27H26FN3OS (C27 H26 FN3 OS)

Compound Name

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

IUPAC name

2-{[4-(4-fluorophenyl)-78-dimethyl-3H-15-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CSC(C2)=Nc(cc(C)c(C)c3)c3N=C2c(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C27H26FN3OS/c1-17-4-6-20(7-5-17)15-29-26(32)16-33-27-14-23(21-8-10-22(28)11-9-21)30-24-12-18(2)19(3)13-25(24)31-27/h4-13H,14-16H2,1-3H3,(H,29,32)

InChI Key

ZPSZOQIEEYERTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.761

Distribution Coefficient, logD

5.653

Water Solubility, LogSw

-5.46

Polar Surface Area

42.661

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

L389-0417 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 L389-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L389-0417?
Check Price and Availability of L389-0417, 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 L389-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L389-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L389-0417
  • 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 L389-0417 available by request