S430-0268 Screening compound: N1-(CYCLOPROPYLMETHYL)-3-{[1-(2

S430-0268 Screening compound: N1-(CYCLOPROPYLMETHYL)-3-{[1-(2
S430-0268 Screening compound: N1-(CYCLOPROPYLMETHYL)-3-{[1-(2 alternative view

Chemical Structure Depiction of ChemDiv screening compound S430-0268
N1-(CYCLOPROPYLMETHYL)-3-{[1-(2

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

S430-0268

Molecular Formula

C21H22F2N2O2 (C21 H22 F2 N2 O2)

Compound Name

N1-(CYCLOPROPYLMETHYL)-3-{[1-(2

IUPAC name

n/a

SMILES

O=C(c1cccc(OC2CN(Cc3cccc(F)c3F)C2)c1)NCC1CC1

InChI

InChI=1S/C21H22F2N2O2/c22-19-6-2-4-16(20(19)23)11-25-12-18(13-25)27-17-5-1-3-15(9-17)21(26)24-10-14-7-8-14/h1-6,9,14,18H,7-8,10-13H2,(H,24,26)

InChI Key

WBWXYQHIJUOUJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28993597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.501

Distribution Coefficient, logD

2.465

Water Solubility, LogSw

-3.68

Polar Surface Area

35.367

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

8.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S430-0268 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with S430-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S430-0268?
Check Price and Availability of S430-0268, 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 S430-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S430-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S430-0268
  • 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 S430-0268 available by request