C700-0693 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C700-0693 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C700-0693 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-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 C700-0693
N-[3-(2-ethylpiperidin-1-yl)propyl]-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

C700-0693

Molecular Formula

C24H36N4O6S (C24 H36 N4 O6 S)

Compound Name

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

IUPAC name

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

CCC1N(CCCNC(CN2c(cc(cc3)S(N4CCOCC4)(=O)=O)c3OCC2=O)=O)CCCC1

InChI

InChI=1S/C24H36N4O6S/c1-2-19-6-3-4-10-26(19)11-5-9-25-23(29)17-28-21-16-20(7-8-22(21)34-18-24(28)30)35(31,32)27-12-14-33-15-13-27/h7-8,16,19H,2-6,9-15,17-18H2,1H3,(H,25,29)/t19-/m0/s1

InChI Key

KGGVHSIWNPOHPV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14785000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.022

Distribution Coefficient, logD

-1.903

Water Solubility, LogSw

-2.60

Polar Surface Area

91.795

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

C700-0693 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C700-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0693?
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What is the minimum amount of C700-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0693
  • 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 C700-0693 available by request