S905-0993 Screening compound: [4-(7-isopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)piperidino](3-methyl-4-isoxazolyl)methanone

S905-0993 Screening compound: [4-(7-isopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)piperidino](3-methyl-4-isoxazolyl)methanone
S905-0993 Screening compound: [4-(7-isopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)piperidino](3-methyl-4-isoxazolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S905-0993
[4-(7-isopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)piperidino](3-methyl-4-isoxazolyl)methanone

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

S905-0993

Molecular Formula

C19H28N6O2 (C19 H28 N6 O2)

Compound Name

[4-(7-isopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)piperidino](3-methyl-4-isoxazolyl)methanone

IUPAC name

1-(3-methyl-12-oxazole-4-carbonyl)-4-[7-(propan-2-yl)-5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-3-yl]piperidine

SMILES

CC(C)N1CCn2c(C(CC3)CCN3C(c3conc3C)=O)nnc2CC1

InChI

InChI=1S/C19H28N6O2/c1-13(2)23-9-6-17-20-21-18(25(17)11-10-23)15-4-7-24(8-5-15)19(26)16-12-27-22-14(16)3/h12-13,15H,4-11H2,1-3H3

InChI Key

AONQCGDQFOLQOK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.751

Distribution Coefficient, logD

-0.222

Water Solubility, LogSw

-1.23

Polar Surface Area

69.853

Acid Dissociation Constant (pKa)

21.10

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.42

S905-0993 in Drug Discovery

Included in Screening Libraries

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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S905-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S905-0993?
Check Price and Availability of S905-0993, 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 S905-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S905-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S905-0993
  • 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 S905-0993 available by request