L470-0516 Screening compound: N-{[5-(morpholine-4-sulfonyl)thiophen-2-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide

L470-0516 Screening compound: N-{[5-(morpholine-4-sulfonyl)thiophen-2-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
L470-0516 Screening compound: N-{[5-(morpholine-4-sulfonyl)thiophen-2-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L470-0516
N-{[5-(morpholine-4-sulfonyl)thiophen-2-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide

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

L470-0516

Molecular Formula

C17H18N2O6S2 (C17 H18 N2 O6 S2)

Compound Name

N-{[5-(morpholine-4-sulfonyl)thiophen-2-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{[5-(morpholine-4-sulfonyl)thiophen-2-yl]methyl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)NCc(s1)ccc1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C17H18N2O6S2/c20-17(12-1-3-14-15(9-12)25-11-24-14)18-10-13-2-4-16(26-13)27(21,22)19-5-7-23-8-6-19/h1-4,9H,5-8,10-11H2,(H,18,20)

InChI Key

HAJRTFLRNHIWNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.986

Distribution Coefficient, logD

1.986

Water Solubility, LogSw

-2.76

Polar Surface Area

82.405

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

L470-0516 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L470-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L470-0516?
Check Price and Availability of L470-0516, 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 L470-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L470-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L470-0516
  • 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 L470-0516 available by request