0453-0671 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-5-chloro-N-cyclohexyl-N-(2-phenoxyethyl)benzamide

0453-0671 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-5-chloro-N-cyclohexyl-N-(2-phenoxyethyl)benzamide
0453-0671 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-5-chloro-N-cyclohexyl-N-(2-phenoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0453-0671
2-(2,1,3-benzothiadiazole-4-sulfonamido)-5-chloro-N-cyclohexyl-N-(2-phenoxyethyl)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

0453-0671

Molecular Formula

C27H27ClN4O4S2 (C27 H27 ClN4 O4 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-5-chloro-N-cyclohexyl-N-(2-phenoxyethyl)benzamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-5-chloro-N-cyclohexyl-N-(2-phenoxyethyl)benzamide

SMILES

O=C(c(cc(cc1)Cl)c1NS(c1cccc2nsnc12)(=O)=O)N(CCOc1ccccc1)C1CCCCC1

InChI

InChI=1S/C27H27ClN4O4S2/c28-19-14-15-23(31-38(34,35)25-13-7-12-24-26(25)30-37-29-24)22(18-19)27(33)32(20-8-3-1-4-9-20)16-17-36-21-10-5-2-6-11-21/h2,5-7,10-15,18,20,31H,1,3-4,8-9,16-17H2

InChI Key

RNMGXXDOQHJJJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.12

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.452

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-6.32

Polar Surface Area

83.723

Acid Dissociation Constant (pKa)

4.14

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

0453-0671 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 0453-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0453-0671?
Check Price and Availability of 0453-0671, 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 0453-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0453-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0453-0671
  • 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 0453-0671 available by request