S720-0991 Screening compound: (2S

S720-0991 Screening compound: (2S
S720-0991 Screening compound: (2S alternative view

Chemical Structure Depiction of ChemDiv screening compound S720-0991
(2S

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

S720-0991

Molecular Formula

C24H25N3O3 (C24 H25 N3 O3)

Compound Name

(2S

IUPAC name

n/a

SMILES

O=C(Cc1c[nH]c2c1cccc2)N(C[C@H](C1)Oc2ccccc2)[C@@H]1C(NC1CC1)=O

InChI

InChI=1S/C24H25N3O3/c28-23(12-16-14-25-21-9-5-4-8-20(16)21)27-15-19(30-18-6-2-1-3-7-18)13-22(27)24(29)26-17-10-11-17/h1-9,14,17,19,22,25H,10-13,15H2,(H,26,29)/t19-,22+/m1/s1

InChI Key

QDGGPMASLPGARW-KNQAVFIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.27

Polar Surface Area

56.955

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

S720-0991 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Natural-Product-Based Library (3730 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S720-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S720-0991?
Check Price and Availability of S720-0991, 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 S720-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S720-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S720-0991
  • 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 S720-0991 available by request