F068-0161 Screening compound: N1-[5-(azepane-1-sulfonyl)thiophen-2-yl]-N3-(butan-2-yl)piperidine-1,3-dicarboxamide

F068-0161 Screening compound: N1-[5-(azepane-1-sulfonyl)thiophen-2-yl]-N3-(butan-2-yl)piperidine-1,3-dicarboxamide
F068-0161 Screening compound: N1-[5-(azepane-1-sulfonyl)thiophen-2-yl]-N3-(butan-2-yl)piperidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F068-0161
N1-[5-(azepane-1-sulfonyl)thiophen-2-yl]-N3-(butan-2-yl)piperidine-1,3-dicarboxamide

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

F068-0161

Molecular Formula

C21H34N4O4S2 (C21 H34 N4 O4 S2)

Compound Name

N1-[5-(azepane-1-sulfonyl)thiophen-2-yl]-N3-(butan-2-yl)piperidine-1,3-dicarboxamide

IUPAC name

N1-[5-(azepane-1-sulfonyl)thiophen-2-yl]-N3-(butan-2-yl)piperidine-13-dicarboxamide

SMILES

CCC(C)NC(C(CCC1)CN1C(Nc(s1)ccc1S(N1CCCCCC1)(=O)=O)=O)=O

InChI

InChI=1S/C21H34N4O4S2/c1-3-16(2)22-20(26)17-9-8-12-24(15-17)21(27)23-18-10-11-19(30-18)31(28,29)25-13-6-4-5-7-14-25/h10-11,16-17H,3-9,12-15H2,1-2H3,(H,22,26)(H,23,27)

InChI Key

PKSDAZKKRQOPAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-3.41

Polar Surface Area

82.301

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

71.40

F068-0161 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with F068-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F068-0161?
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What is the minimum amount of F068-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F068-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F068-0161
  • 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 F068-0161 available by request