C700-1140 Screening compound: 2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-propylacetamide

C700-1140 Screening compound: 2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-propylacetamide
C700-1140 Screening compound: 2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1140
2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-propylacetamide

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

C700-1140

Molecular Formula

C20H29N3O5S (C20 H29 N3 O5 S)

Compound Name

2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-propylacetamide

IUPAC name

2-{6-[(35-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-propylacetamide

SMILES

CCCNC(CN1c(cc(cc2)S(N3CC(C)CC(C)C3)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C20H29N3O5S/c1-4-7-21-19(24)12-23-17-9-16(5-6-18(17)28-13-20(23)25)29(26,27)22-10-14(2)8-15(3)11-22/h5-6,9,14-15H,4,7-8,10-13H2,1-3H3,(H,21,24)

InChI Key

SMXPLLCJICLNDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

2.179

Water Solubility, LogSw

-2.98

Polar Surface Area

80.231

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

C700-1140 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C700-1140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1140?
Check Price and Availability of C700-1140, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C700-1140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1140
  • 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 C700-1140 available by request