C700-0732 Screening compound: 4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

C700-0732 Screening compound: 4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
C700-0732 Screening compound: 4-{2-[4-(4-fluorophenyl)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 C700-0732
4-{2-[4-(4-fluorophenyl)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

C700-0732

Molecular Formula

C24H27FN4O6S (C24 H27 FN4 O6 S)

Compound Name

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

IUPAC name

4-{2-[4-(4-fluorophenyl)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)CCN1c(cc1)ccc1F

InChI

InChI=1S/C24H27FN4O6S/c25-18-1-3-19(4-2-18)26-7-9-27(10-8-26)23(30)16-29-21-15-20(5-6-22(21)35-17-24(29)31)36(32,33)28-11-13-34-14-12-28/h1-6,15H,7-14,16-17H2

InChI Key

YIKDOGYIBIFXCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.57

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

1.299

Distribution Coefficient, logD

1.299

Water Solubility, LogSw

-2.52

Polar Surface Area

83.341

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C700-0732 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C700-0732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0732?
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What is the minimum amount of C700-0732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0732
  • 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 C700-0732 available by request