C700-1198 Screening compound: N,N-diethyl-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

C700-1198 Screening compound: N,N-diethyl-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
C700-1198 Screening compound: N,N-diethyl-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1198
N,N-diethyl-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-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

C700-1198

Molecular Formula

C24H29FN4O5S (C24 H29 FN4 O5 S)

Compound Name

N,N-diethyl-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

NN-diethyl-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc(N2CC(N(CC3)CCN3c(cccc3)c3F)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C24H29FN4O5S/c1-3-28(4-2)35(32,33)18-9-10-22-21(15-18)29(24(31)17-34-22)16-23(30)27-13-11-26(12-14-27)20-8-6-5-7-19(20)25/h5-10,15H,3-4,11-14,16-17H2,1-2H3

InChI Key

CJYKRGKLXDQPBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.144

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-2.75

Polar Surface Area

74.517

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C700-1198 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C700-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1198?
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What is the minimum amount of C700-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1198
  • 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 C700-1198 available by request