S905-1055 Screening compound: N-(3,4-dimethylphenyl)-4-(7-isopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)tetrahydro-1(2H)-pyridinecarboxamide

S905-1055 Screening compound: N-(3,4-dimethylphenyl)-4-(7-isopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)tetrahydro-1(2H)-pyridinecarboxamide
S905-1055 Screening compound: N-(3,4-dimethylphenyl)-4-(7-isopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S905-1055
N-(3,4-dimethylphenyl)-4-(7-isopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)tetrahydro-1(2H)-pyridinecarboxamide

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

S905-1055

Molecular Formula

C23H34N6O (C23 H34 N6 O)

Compound Name

N-(3,4-dimethylphenyl)-4-(7-isopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(34-dimethylphenyl)-4-[7-(propan-2-yl)-5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-3-yl]piperidine-1-carboxamide

SMILES

CC(C)N1CCn2c(C(CC3)CCN3C(Nc3cc(C)c(C)cc3)=O)nnc2CC1

InChI

InChI=1S/C23H34N6O/c1-16(2)27-12-9-21-25-26-22(29(21)14-13-27)19-7-10-28(11-8-19)23(30)24-20-6-5-17(3)18(4)15-20/h5-6,15-16,19H,7-14H2,1-4H3,(H,24,30)

InChI Key

YEXFFTGIPAITDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31958012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-3.15

Polar Surface Area

54.596

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.87

S905-1055 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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S905-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S905-1055?
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What is the minimum amount of S905-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S905-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S905-1055
  • 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 S905-1055 available by request