S631-1622 Screening compound: 2-{1-[(3,4-difluorophenyl)methyl]piperidin-4-yl}-3-(4-methyl-1,3-thiazol-5-yl)-2-azaspiro[3.4]octan-1-one

S631-1622 Screening compound: 2-{1-[(3,4-difluorophenyl)methyl]piperidin-4-yl}-3-(4-methyl-1,3-thiazol-5-yl)-2-azaspiro[3.4]octan-1-one
S631-1622 Screening compound: 2-{1-[(3,4-difluorophenyl)methyl]piperidin-4-yl}-3-(4-methyl-1,3-thiazol-5-yl)-2-azaspiro[3.4]octan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S631-1622
2-{1-[(3,4-difluorophenyl)methyl]piperidin-4-yl}-3-(4-methyl-1,3-thiazol-5-yl)-2-azaspiro[3.4]octan-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

S631-1622

Molecular Formula

C23H27F2N3OS (C23 H27 F2 N3 OS)

Compound Name

2-{1-[(3,4-difluorophenyl)methyl]piperidin-4-yl}-3-(4-methyl-1,3-thiazol-5-yl)-2-azaspiro[3.4]octan-1-one

IUPAC name

2-{1-[(34-difluorophenyl)methyl]piperidin-4-yl}-3-(4-methyl-13-thiazol-5-yl)-2-azaspiro[3.4]octan-1-one

SMILES

Cc1c(C(C23CCCC3)N(C3CCN(Cc(cc4)cc(F)c4F)CC3)C2=O)scn1

InChI

InChI=1S/C23H27F2N3OS/c1-15-20(30-14-26-15)21-23(8-2-3-9-23)22(29)28(21)17-6-10-27(11-7-17)13-16-4-5-18(24)19(25)12-16/h4-5,12,14,17,21H,2-3,6-11,13H2,1H3/t21-/m1/s1

InChI Key

PQAUHTPHYUJHJL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD31975328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-4.08

Polar Surface Area

29.507

Acid Dissociation Constant (pKa)

25.41

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

S631-1622 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S631-1622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S631-1622?
Check Price and Availability of S631-1622, 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 S631-1622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S631-1622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S631-1622
  • 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 S631-1622 available by request