C517-5468 Screening compound: N-{3-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]PROPYL}-3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE

C517-5468 Screening compound: N-{3-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]PROPYL}-3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE
C517-5468 Screening compound: N-{3-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]PROPYL}-3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-5468
N-{3-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]PROPYL}-3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE

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

C517-5468

Molecular Formula

C21H25ClN4O4S (C21 H25 ClN4 O4 S)

Compound Name

N-{3-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]PROPYL}-3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE

IUPAC name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CN(c(ccc(S(NCCCN(CC1)CCN1c1cccc(Cl)c1)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C21H25ClN4O4S/c1-24-19-7-6-18(15-20(19)30-21(24)27)31(28,29)23-8-3-9-25-10-12-26(13-11-25)17-5-2-4-16(22)14-17/h2,4-7,14-15,23H,3,8-13H2,1H3

InChI Key

PQTRDBXXMKPNKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

2.496

Water Solubility, LogSw

-3.76

Polar Surface Area

71.947

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C517-5468 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with C517-5468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-5468?
Check Price and Availability of C517-5468, 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 C517-5468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-5468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-5468
  • 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 C517-5468 available by request