C700-0719 Screening compound: 4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

C700-0719 Screening compound: 4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
C700-0719 Screening compound: 4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0719
4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-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

C700-0719

Molecular Formula

C24H27ClN4O6S (C24 H27 ClN4 O6 S)

Compound Name

4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(morpholine-4-sulfonyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2OCC1=O)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C24H27ClN4O6S/c25-18-2-1-3-19(14-18)26-6-8-27(9-7-26)23(30)16-29-21-15-20(4-5-22(21)35-17-24(29)31)36(32,33)28-10-12-34-13-11-28/h1-5,14-15H,6-13,16-17H2

InChI Key

QEXFGSGKVWFGEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.02

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

1.733

Distribution Coefficient, logD

1.732

Water Solubility, LogSw

-2.86

Polar Surface Area

83.341

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C700-0719 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 C700-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0719?
Check Price and Availability of C700-0719, 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 C700-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0719
  • 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 C700-0719 available by request