S932-2992 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-[1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazole

S932-2992 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-[1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazole
S932-2992 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-[1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-2992
4-[(cyclopropylmethoxy)methyl]-1-[1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazole

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

S932-2992

Molecular Formula

C16H20N4O2S (C16 H20 N4 O2 S)

Compound Name

4-[(cyclopropylmethoxy)methyl]-1-[1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazole

IUPAC name

4-[(cyclopropylmethoxy)methyl]-1-[1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1H-123-triazole

SMILES

O=C(c1cscc1)N(CC1)CC1n1nnc(COCC2CC2)c1

InChI

InChI=1S/C16H20N4O2S/c21-16(13-4-6-23-11-13)19-5-3-15(8-19)20-7-14(17-18-20)10-22-9-12-1-2-12/h4,6-7,11-12,15H,1-3,5,8-10H2/t15-/m1/s1

InChI Key

DJOOPGRKPIEETH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31961972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.562

Distribution Coefficient, logD

1.562

Water Solubility, LogSw

-1.88

Polar Surface Area

53.392

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

S932-2992 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S932-2992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-2992?
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What is the minimum amount of S932-2992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-2992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-2992
  • 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 S932-2992 available by request