D400-7213 Screening compound: 1-benzyl-4-[4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]piperazine

D400-7213 Screening compound: 1-benzyl-4-[4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]piperazine
D400-7213 Screening compound: 1-benzyl-4-[4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-7213
1-benzyl-4-[4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]piperazine

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

D400-7213

Molecular Formula

C23H28N4O4S (C23 H28 N4 O4 S)

Compound Name

1-benzyl-4-[4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]piperazine

IUPAC name

1-benzyl-4-[4-ethoxy-3-(3-ethyl-124-oxadiazol-5-yl)benzenesulfonyl]piperazine

SMILES

CCc1noc(-c(cc(cc2)S(N3CCN(Cc4ccccc4)CC3)(=O)=O)c2OCC)n1

InChI

InChI=1S/C23H28N4O4S/c1-3-22-24-23(31-25-22)20-16-19(10-11-21(20)30-4-2)32(28,29)27-14-12-26(13-15-27)17-18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3

InChI Key

YJFZGEAHRLJURA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.645

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-3.83

Polar Surface Area

75.368

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D400-7213 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D400-7213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-7213?
Check Price and Availability of D400-7213, 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 D400-7213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-7213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-7213
  • 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 D400-7213 available by request