C521-1072 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(2-methoxybenzenesulfonyl)methyl]furan-2-carboxamide

C521-1072 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(2-methoxybenzenesulfonyl)methyl]furan-2-carboxamide
C521-1072 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(2-methoxybenzenesulfonyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-1072
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(2-methoxybenzenesulfonyl)methyl]furan-2-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

C521-1072

Molecular Formula

C21H19NO7S (C21 H19 NO7 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(2-methoxybenzenesulfonyl)methyl]furan-2-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-[(2-methoxybenzenesulfonyl)methyl]furan-2-carboxamide

SMILES

COc(cccc1)c1S(Cc1ccc(C(NCc(cc2)cc3c2OCO3)=O)o1)(=O)=O

InChI

InChI=1S/C21H19NO7S/c1-26-17-4-2-3-5-20(17)30(24,25)12-15-7-9-18(29-15)21(23)22-11-14-6-8-16-19(10-14)28-13-27-16/h2-10H,11-13H2,1H3,(H,22,23)

InChI Key

JQCRCHZLCXICRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.44

Polar Surface Area

86.004

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C521-1072 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C521-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-1072?
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What is the minimum amount of C521-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-1072
  • 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 C521-1072 available by request