3894-0053 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-2-morpholinoacetamide

3894-0053 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-2-morpholinoacetamide
3894-0053 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-2-morpholinoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3894-0053
N~1~-[4-(aminosulfonyl)phenyl]-2-morpholinoacetamide

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

3894-0053

Molecular Formula

C12H17N3O4S (C12 H17 N3 O4 S)

Compound Name

N~1~-[4-(aminosulfonyl)phenyl]-2-morpholinoacetamide

IUPAC name

2-(morpholin-4-yl)-N-(4-sulfamoylphenyl)acetamide

SMILES

NS(c(cc1)ccc1NC(CN1CCOCC1)=O)(=O)=O

InChI

InChI=1S/C12H17N3O4S/c13-20(17,18)11-3-1-10(2-4-11)14-12(16)9-15-5-7-19-8-6-15/h1-4H,5-9H2,(H,14,16)(H2,13,17,18)

InChI Key

ZKUIDNFBWWVULC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.046

Distribution Coefficient, logD

-0.047

Water Solubility, LogSw

-2.18

Polar Surface Area

85.632

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

3894-0053 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3894-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3894-0053?
Check Price and Availability of 3894-0053, 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 3894-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3894-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3894-0053
  • 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 3894-0053 available by request