C700-0727 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C700-0727 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C700-0727 Screening compound: N-[3-(cyclohexylsulfanyl)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 C700-0727
N-[3-(cyclohexylsulfanyl)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

C700-0727

Molecular Formula

C23H33N3O6S2 (C23 H33 N3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2OCC1=O)NCCCSC1CCCCC1

InChI

InChI=1S/C23H33N3O6S2/c27-22(24-9-4-14-33-18-5-2-1-3-6-18)16-26-20-15-19(7-8-21(20)32-17-23(26)28)34(29,30)25-10-12-31-13-11-25/h7-8,15,18H,1-6,9-14,16-17H2,(H,24,27)

InChI Key

ZBXKRRCQZWEWMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.66

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.021

Distribution Coefficient, logD

2.021

Water Solubility, LogSw

-2.81

Polar Surface Area

88.193

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

References: we are preparing a list of scientific research reports with C700-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0727?
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What is the minimum amount of C700-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0727
  • 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 C700-0727 available by request