8015-5602 Screening compound: 3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxybenzamide

8015-5602 Screening compound: 3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxybenzamide
8015-5602 Screening compound: 3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5602
3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxybenzamide

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

8015-5602

Molecular Formula

C22H23N3O6S (C22 H23 N3 O6 S)

Compound Name

3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxybenzamide

IUPAC name

3-(azepane-1-sulfonyl)-N-(6-cyano-2H-13-benzodioxol-5-yl)-4-methoxybenzamide

SMILES

COc(ccc(C(Nc(cc1OCOc1c1)c1C#N)=O)c1)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C22H23N3O6S/c1-29-18-7-6-15(11-21(18)32(27,28)25-8-4-2-3-5-9-25)22(26)24-17-12-20-19(30-14-31-20)10-16(17)13-23/h6-7,10-12H,2-5,8-9,14H2,1H3,(H,24,26)

InChI Key

DVQACKPKZRBBEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

2.517

Water Solubility, LogSw

-3.58

Polar Surface Area

96.476

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8015-5602 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8015-5602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5602?
Check Price and Availability of 8015-5602, 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 8015-5602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5602
  • 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 8015-5602 available by request