3617-1611 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

3617-1611 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
3617-1611 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3617-1611
2-(4-chloro-3,5-dimethylphenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

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

3617-1611

Molecular Formula

C17H16ClN3O2S (C17 H16 ClN3 O2 S)

Compound Name

2-(4-chloro-3,5-dimethylphenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

IUPAC name

2-(4-chloro-35-dimethylphenoxy)-N-(5-methyl-213-benzothiadiazol-4-yl)acetamide

SMILES

Cc(ccc1nsnc11)c1NC(COc(cc1C)cc(C)c1Cl)=O

InChI

InChI=1S/C17H16ClN3O2S/c1-9-4-5-13-17(21-24-20-13)16(9)19-14(22)8-23-12-6-10(2)15(18)11(3)7-12/h4-7H,8H2,1-3H3,(H,19,22)

InChI Key

JOFYIYULEXLHRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02219176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-4.96

Polar Surface Area

50.172

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 3617-1611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3617-1611?
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What is the minimum amount of 3617-1611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3617-1611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3617-1611
  • 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 3617-1611 available by request