D434-0657 Screening compound: 5-(azepan-1-yl)-2-[4-(piperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile

D434-0657 Screening compound: 5-(azepan-1-yl)-2-[4-(piperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
D434-0657 Screening compound: 5-(azepan-1-yl)-2-[4-(piperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0657
5-(azepan-1-yl)-2-[4-(piperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile

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

D434-0657

Molecular Formula

C21H26N4O3S (C21 H26 N4 O3 S)

Compound Name

5-(azepan-1-yl)-2-[4-(piperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-(azepan-1-yl)-2-[4-(piperidine-1-sulfonyl)phenyl]-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(N2CCCCCC2)oc(-c(cc2)ccc2S(N2CCCCC2)(=O)=O)n1

InChI

InChI=1S/C21H26N4O3S/c22-16-19-21(24-12-4-1-2-5-13-24)28-20(23-19)17-8-10-18(11-9-17)29(26,27)25-14-6-3-7-15-25/h8-11H,1-7,12-15H2

InChI Key

UXDHYQLOZZCMGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.937

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-4.08

Polar Surface Area

71.797

Acid Dissociation Constant (pKa)

27.64

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

D434-0657 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D434-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0657?
Check Price and Availability of D434-0657, 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 D434-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0657
  • 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 D434-0657 available by request