0090-0043 Screening compound: 3-(morpholine-4-sulfonyl)-N-(3-nitrophenyl)benzamide

0090-0043 Screening compound: 3-(morpholine-4-sulfonyl)-N-(3-nitrophenyl)benzamide
0090-0043 Screening compound: 3-(morpholine-4-sulfonyl)-N-(3-nitrophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0090-0043
3-(morpholine-4-sulfonyl)-N-(3-nitrophenyl)benzamide

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

0090-0043

Molecular Formula

C17H17N3O6S (C17 H17 N3 O6 S)

Compound Name

3-(morpholine-4-sulfonyl)-N-(3-nitrophenyl)benzamide

IUPAC name

3-(morpholine-4-sulfonyl)-N-(3-nitrophenyl)benzamide

SMILES

[O-][N+](c1cccc(NC(c2cccc(S(N3CCOCC3)(=O)=O)c2)=O)c1)=O

InChI

InChI=1S/C17H17N3O6S/c21-17(18-14-4-2-5-15(12-14)20(22)23)13-3-1-6-16(11-13)27(24,25)19-7-9-26-10-8-19/h1-6,11-12H,7-10H2,(H,18,21)

InChI Key

OPSYRIKVJWBFNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00355831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.277

Distribution Coefficient, logD

2.165

Water Solubility, LogSw

-3.02

Polar Surface Area

96.331

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

0090-0043 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0090-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0090-0043?
Check Price and Availability of 0090-0043, 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 0090-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0090-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0090-0043
  • 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 0090-0043 available by request