G400-0551 Screening compound: N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(1-pyrrolidinylcarbonyl)-2-thiophenesulfonamide

G400-0551 Screening compound: N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(1-pyrrolidinylcarbonyl)-2-thiophenesulfonamide
G400-0551 Screening compound: N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(1-pyrrolidinylcarbonyl)-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G400-0551
N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(1-pyrrolidinylcarbonyl)-2-thiophenesulfonamide

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

G400-0551

Molecular Formula

C17H18N2O5S2 (C17 H18 N2 O5 S2)

Compound Name

N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(1-pyrrolidinylcarbonyl)-2-thiophenesulfonamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

SMILES

O=C(c(s1)ccc1S(Nc(cc1)cc2c1OCCO2)(=O)=O)N1CCCC1

InChI

InChI=1S/C17H18N2O5S2/c20-17(19-7-1-2-8-19)15-5-6-16(25-15)26(21,22)18-12-3-4-13-14(11-12)24-10-9-23-13/h3-6,11,18H,1-2,7-10H2

InChI Key

ODAXLXIVBSLPOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15009205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.082

Distribution Coefficient, logD

2.025

Water Solubility, LogSw

-2.95

Polar Surface Area

74.744

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

G400-0551 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G400-0551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G400-0551?
Check Price and Availability of G400-0551, 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 G400-0551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G400-0551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G400-0551
  • 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 G400-0551 available by request