C648-0818 Screening compound: 6-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

C648-0818 Screening compound: 6-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
C648-0818 Screening compound: 6-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0818
6-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

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

C648-0818

Molecular Formula

C25H30N4O6S (C25 H30 N4 O6 S)

Compound Name

6-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

CN(c(ccc(S(N(CC1)CCC1C(N(CC1)CCN1c(cc1)ccc1OC)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C25H30N4O6S/c1-26-22-8-7-21(17-23(22)35-25(26)31)36(32,33)29-11-9-18(10-12-29)24(30)28-15-13-27(14-16-28)19-3-5-20(34-2)6-4-19/h3-8,17-18H,9-16H2,1-2H3

InChI Key

CYKPQFRNIZOHEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-3.08

Polar Surface Area

82.268

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C648-0818 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C648-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0818?
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What is the minimum amount of C648-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0818
  • 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 C648-0818 available by request