7916-0949 Screening compound: 2-(4-bromophenoxy)-2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide

7916-0949 Screening compound: 2-(4-bromophenoxy)-2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
7916-0949 Screening compound: 2-(4-bromophenoxy)-2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7916-0949
2-(4-bromophenoxy)-2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide

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

7916-0949

Molecular Formula

C17H16BrN3O2S (C17 H16 BrN3 O2 S)

Compound Name

2-(4-bromophenoxy)-2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide

IUPAC name

2-(4-bromophenoxy)-2-methyl-N-(5-methyl-213-benzothiadiazol-4-yl)propanamide

SMILES

CC(C)(C(Nc1c(C)ccc2nsnc12)=O)Oc(cc1)ccc1Br

InChI

InChI=1S/C17H16BrN3O2S/c1-10-4-9-13-15(21-24-20-13)14(10)19-16(22)17(2,3)23-12-7-5-11(18)6-8-12/h4-9H,1-3H3,(H,19,22)

InChI Key

VFMXGVBJYMFATI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07436501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.3

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

4.517

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.32

Polar Surface Area

49.106

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

7916-0949 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7916-0949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7916-0949?
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What is the minimum amount of 7916-0949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7916-0949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7916-0949
  • 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 7916-0949 available by request