C521-0364 Screening compound: N-[2-(azepan-1-yl)ethyl]-5-[(4-bromobenzenesulfonyl)methyl]furan-2-carboxamide

C521-0364 Screening compound: N-[2-(azepan-1-yl)ethyl]-5-[(4-bromobenzenesulfonyl)methyl]furan-2-carboxamide
C521-0364 Screening compound: N-[2-(azepan-1-yl)ethyl]-5-[(4-bromobenzenesulfonyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0364
N-[2-(azepan-1-yl)ethyl]-5-[(4-bromobenzenesulfonyl)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

C521-0364

Molecular Formula

C20H25BrN2O4S (C20 H25 BrN2 O4 S)

Compound Name

N-[2-(azepan-1-yl)ethyl]-5-[(4-bromobenzenesulfonyl)methyl]furan-2-carboxamide

IUPAC name

n/a

SMILES

O=C(c1ccc(CS(c(cc2)ccc2Br)(=O)=O)o1)NCCN1CCCCCC1

InChI

InChI=1S/C20H25BrN2O4S/c21-16-5-8-18(9-6-16)28(25,26)15-17-7-10-19(27-17)20(24)22-11-14-23-12-3-1-2-4-13-23/h5-10H,1-4,11-15H2,(H,22,24)

InChI Key

CPZJKSKVAHHION-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.499

Distribution Coefficient, logD

2.225

Water Solubility, LogSw

-3.72

Polar Surface Area

65.413

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

8.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C521-0364 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C521-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0364?
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What is the minimum amount of C521-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0364
  • 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 C521-0364 available by request