P158-1286 Screening compound: 2-[3-(azepane-1-sulfonyl)-2-oxo-1,2-dihydropyridin-1-yl]-N-(butan-2-yl)acetamide

P158-1286 Screening compound: 2-[3-(azepane-1-sulfonyl)-2-oxo-1,2-dihydropyridin-1-yl]-N-(butan-2-yl)acetamide
P158-1286 Screening compound: 2-[3-(azepane-1-sulfonyl)-2-oxo-1,2-dihydropyridin-1-yl]-N-(butan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P158-1286
2-[3-(azepane-1-sulfonyl)-2-oxo-1,2-dihydropyridin-1-yl]-N-(butan-2-yl)acetamide

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

P158-1286

Molecular Formula

C17H27N3O4S (C17 H27 N3 O4 S)

Compound Name

2-[3-(azepane-1-sulfonyl)-2-oxo-1,2-dihydropyridin-1-yl]-N-(butan-2-yl)acetamide

IUPAC name

2-[3-(azepane-1-sulfonyl)-2-oxo-12-dihydropyridin-1-yl]-N-(butan-2-yl)acetamide

SMILES

CCC(C)NC(CN(C=CC=C1S(N2CCCCCC2)(=O)=O)C1=O)=O

InChI

InChI=1S/C17H27N3O4S/c1-3-14(2)18-16(21)13-19-10-8-9-15(17(19)22)25(23,24)20-11-6-4-5-7-12-20/h8-10,14H,3-7,11-13H2,1-2H3,(H,18,21)/t14-/m0/s1

InChI Key

PSRYJOJGYCSVOE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD22595912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.159

Distribution Coefficient, logD

1.159

Water Solubility, LogSw

-1.72

Polar Surface Area

72.179

Acid Dissociation Constant (pKa)

16.10

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.70

P158-1286 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with P158-1286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P158-1286?
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What is the minimum amount of P158-1286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P158-1286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P158-1286
  • 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 P158-1286 available by request