C700-0244 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

C700-0244 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide
C700-0244 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0244
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{6-[(4-methylpiperidin-1-yl)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

C700-0244

Molecular Formula

C26H40N4O5S (C26 H40 N4 O5 S)

Compound Name

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

IUPAC name

N-[3-(26-dimethylpiperidin-1-yl)propyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}acetamide

SMILES

CC(CC1)CCN1S(c(cc1)cc(N2CC(NCCCN3C(C)CCCC3C)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C26H40N4O5S/c1-19-10-14-28(15-11-19)36(33,34)22-8-9-24-23(16-22)30(26(32)18-35-24)17-25(31)27-12-5-13-29-20(2)6-4-7-21(29)3/h8-9,16,19-21H,4-7,10-15,17-18H2,1-3H3,(H,27,31)

InChI Key

SJSHWGRDOKRYTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.378

Distribution Coefficient, logD

-0.780

Water Solubility, LogSw

-3.01

Polar Surface Area

82.630

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.20

C700-0244 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 C700-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0244?
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What is the minimum amount of C700-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0244
  • 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 C700-0244 available by request