S932-2530 Screening compound: 1-(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-(3-methoxyphenyl)propan-1-one

S932-2530 Screening compound: 1-(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-(3-methoxyphenyl)propan-1-one
S932-2530 Screening compound: 1-(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-(3-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-2530
1-(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-(3-methoxyphenyl)propan-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

S932-2530

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

1-(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-(3-methoxyphenyl)propan-1-one

IUPAC name

1-(3-{4-[(cyclopropylmethoxy)methyl]-1H-123-triazol-1-yl}pyrrolidin-1-yl)-3-(3-methoxyphenyl)propan-1-one

SMILES

COc1cccc(CCC(N(CC2)CC2n2nnc(COCC3CC3)c2)=O)c1

InChI

InChI=1S/C21H28N4O3/c1-27-20-4-2-3-16(11-20)7-8-21(26)24-10-9-19(13-24)25-12-18(22-23-25)15-28-14-17-5-6-17/h2-4,11-12,17,19H,5-10,13-15H2,1H3/t19-/m1/s1

InChI Key

PZWVHYALUMUHFN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31960787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.367

Distribution Coefficient, logD

2.367

Water Solubility, LogSw

-2.38

Polar Surface Area

59.390

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S932-2530 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

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

Therapeutical areas:
  • Nervous system
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 S932-2530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-2530?
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What is the minimum amount of S932-2530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-2530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-2530
  • 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 S932-2530 available by request