C700-0799 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C700-0799 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C700-0799 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0799
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

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

C700-0799

Molecular Formula

C24H29N3O8S (C24 H29 N3 O8 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

COc(ccc(CCNC(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2OCC1=O)=O)c1)c1OC

InChI

InChI=1S/C24H29N3O8S/c1-32-21-5-3-17(13-22(21)33-2)7-8-25-23(28)15-27-19-14-18(4-6-20(19)35-16-24(27)29)36(30,31)26-9-11-34-12-10-26/h3-6,13-14H,7-12,15-16H2,1-2H3,(H,25,28)

InChI Key

KUABZXFWQMRKNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.455

Distribution Coefficient, logD

0.455

Water Solubility, LogSw

-2.55

Polar Surface Area

103.262

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C700-0799 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C700-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0799?
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What is the minimum amount of C700-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0799
  • 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 C700-0799 available by request