L731-0413 Screening compound: (4S)-3-(2-BROMOBENZOYL)-N4-[2-(1

L731-0413 Screening compound: (4S)-3-(2-BROMOBENZOYL)-N4-[2-(1
L731-0413 Screening compound: (4S)-3-(2-BROMOBENZOYL)-N4-[2-(1 alternative view

Chemical Structure Depiction of ChemDiv screening compound L731-0413
(4S)-3-(2-BROMOBENZOYL)-N4-[2-(1

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

L731-0413

Molecular Formula

C16H16BrN3O2S2 (C16 H16 BrN3 O2 S2)

Compound Name

(4S)-3-(2-BROMOBENZOYL)-N4-[2-(1

IUPAC name

n/a

SMILES

O=C(C(CSC1)N1C(c(cccc1)c1Br)=O)NCCc1cscn1

InChI

InChI=1S/C16H16BrN3O2S2/c17-13-4-2-1-3-12(13)16(22)20-10-24-8-14(20)15(21)18-6-5-11-7-23-9-19-11/h1-4,7,9,14H,5-6,8,10H2,(H,18,21)/t14-/m0/s1

InChI Key

JKIYDJJTVUMFGB-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.277

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-2.91

Polar Surface Area

51.313

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

L731-0413 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L731-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L731-0413?
Check Price and Availability of L731-0413, 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 L731-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L731-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L731-0413
  • 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 L731-0413 available by request