S694-0341 Screening compound: 4-(1H-indol-3-yl)-1-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidin-1-yl}butan-1-one

S694-0341 Screening compound: 4-(1H-indol-3-yl)-1-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidin-1-yl}butan-1-one
S694-0341 Screening compound: 4-(1H-indol-3-yl)-1-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidin-1-yl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-0341
4-(1H-indol-3-yl)-1-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidin-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

S694-0341

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

4-(1H-indol-3-yl)-1-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidin-1-yl}butan-1-one

IUPAC name

4-(1H-indol-3-yl)-1-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidin-1-yl}butan-1-one

SMILES

Cc1cnc(C2CCOCC2)n1C(CC1)CN1C(CCCc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C25H32N4O2/c1-18-15-27-25(19-10-13-31-14-11-19)29(18)21-9-12-28(17-21)24(30)8-4-5-20-16-26-23-7-3-2-6-22(20)23/h2-3,6-7,15-16,19,21,26H,4-5,8-14,17H2,1H3/t21-/m1/s1

InChI Key

AQCZNZUJYDZMTN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD31965797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.150

Distribution Coefficient, logD

1.347

Water Solubility, LogSw

-2.88

Polar Surface Area

45.928

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

S694-0341 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 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

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S694-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-0341?
Check Price and Availability of S694-0341, 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 S694-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-0341
  • 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 S694-0341 available by request