S830-2611 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-[4,4-difluoro-3-(methoxymethyl)piperidin-1-yl]butan-1-one

S830-2611 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-[4,4-difluoro-3-(methoxymethyl)piperidin-1-yl]butan-1-one
S830-2611 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-[4,4-difluoro-3-(methoxymethyl)piperidin-1-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-2611
4-(1H-1,3-benzodiazol-2-yl)-1-[4,4-difluoro-3-(methoxymethyl)piperidin-1-yl]butan-1-one

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

S830-2611

Molecular Formula

C18H23F2N3O2 (C18 H23 F2 N3 O2)

Compound Name

4-(1H-1,3-benzodiazol-2-yl)-1-[4,4-difluoro-3-(methoxymethyl)piperidin-1-yl]butan-1-one

IUPAC name

4-(1H-13-benzodiazol-2-yl)-1-[44-difluoro-3-(methoxymethyl)piperidin-1-yl]butan-1-one

SMILES

COCC(CN(CC1)C(CCCc2nc(cccc3)c3[nH]2)=O)C1(F)F

InChI

InChI=1S/C18H23F2N3O2/c1-25-12-13-11-23(10-9-18(13,19)20)17(24)8-4-7-16-21-14-5-2-3-6-15(14)22-16/h2-3,5-6,13H,4,7-12H2,1H3,(H,21,22)/t13-/m1/s1

InChI Key

JSNODRLZVNCGMG-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD30468312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.640

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-2.81

Polar Surface Area

44.998

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S830-2611 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S830-2611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-2611?
Check Price and Availability of S830-2611, 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 S830-2611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-2611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-2611
  • 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 S830-2611 available by request