S632-6826 Screening compound: 1-[4-(1-{[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-3-yl)piperidino]-1-ethanone

S632-6826 Screening compound: 1-[4-(1-{[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-3-yl)piperidino]-1-ethanone
S632-6826 Screening compound: 1-[4-(1-{[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-3-yl)piperidino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-6826
1-[4-(1-{[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-3-yl)piperidino]-1-ethanone

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

S632-6826

Molecular Formula

C22H31N5O3 (C22 H31 N5 O3)

Compound Name

1-[4-(1-{[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-3-yl)piperidino]-1-ethanone

IUPAC name

n/a

SMILES

CCn1nc(C)c(-c2cc(C(N(CC3)CC3C(CC3)CCN3C(C)=O)=O)no2)c1C

InChI

InChI=1S/C22H31N5O3/c1-5-27-15(3)21(14(2)23-27)20-12-19(24-30-20)22(29)26-11-8-18(13-26)17-6-9-25(10-7-17)16(4)28/h12,17-18H,5-11,13H2,1-4H3/t18-/m1/s1

InChI Key

ZETPJLDNJDTMLH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD30464914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.574

Distribution Coefficient, logD

1.574

Water Solubility, LogSw

-1.58

Polar Surface Area

70.116

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

S632-6826 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S632-6826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-6826?
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What is the minimum amount of S632-6826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-6826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-6826
  • 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 S632-6826 available by request