C700-0176 Screening compound: N-(3-ethoxypropyl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

C700-0176 Screening compound: N-(3-ethoxypropyl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide
C700-0176 Screening compound: N-(3-ethoxypropyl)-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 C700-0176
N-(3-ethoxypropyl)-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

C700-0176

Molecular Formula

C21H31N3O6S (C21 H31 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(CN1c(cc(cc2)S(N3CCC(C)CC3)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C21H31N3O6S/c1-3-29-12-4-9-22-20(25)14-24-18-13-17(5-6-19(18)30-15-21(24)26)31(27,28)23-10-7-16(2)8-11-23/h5-6,13,16H,3-4,7-12,14-15H2,1-2H3,(H,22,25)

InChI Key

YSXZNWKSWGFVEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.464

Distribution Coefficient, logD

1.464

Water Solubility, LogSw

-2.65

Polar Surface Area

88.341

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C700-0176 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C700-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0176?
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What is the minimum amount of C700-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0176
  • 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 C700-0176 available by request