3019-0399 Screening compound: 3-(azepane-1-sulfonyl)-4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

3019-0399 Screening compound: 3-(azepane-1-sulfonyl)-4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
3019-0399 Screening compound: 3-(azepane-1-sulfonyl)-4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3019-0399
3-(azepane-1-sulfonyl)-4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

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

3019-0399

Molecular Formula

C21H23ClN2O5S (C21 H23 ClN2 O5 S)

Compound Name

3-(azepane-1-sulfonyl)-4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

IUPAC name

3-(azepane-1-sulfonyl)-4-chloro-N-(23-dihydro-14-benzodioxin-6-yl)benzamide

SMILES

O=C(c(cc1)cc(S(N2CCCCCC2)(=O)=O)c1Cl)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C21H23ClN2O5S/c22-17-7-5-15(13-20(17)30(26,27)24-9-3-1-2-4-10-24)21(25)23-16-6-8-18-19(14-16)29-12-11-28-18/h5-8,13-14H,1-4,9-12H2,(H,23,25)

InChI Key

HHELEOFEFHYGIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03140414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.042

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.71

Polar Surface Area

71.195

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 3019-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3019-0399?
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What is the minimum amount of 3019-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3019-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3019-0399
  • 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 3019-0399 available by request