8017-4411 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-3-bromo-4-methoxybenzamide

8017-4411 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-3-bromo-4-methoxybenzamide
8017-4411 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-3-bromo-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4411
N-(2,1,3-benzothiadiazol-4-yl)-3-bromo-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

8017-4411

Molecular Formula

C14H10BrN3O2S (C14 H10 BrN3 O2 S)

Compound Name

N-(2,1,3-benzothiadiazol-4-yl)-3-bromo-4-methoxybenzamide

IUPAC name

N-(213-benzothiadiazol-4-yl)-3-bromo-4-methoxybenzamide

SMILES

COc(ccc(C(Nc1cccc2nsnc12)=O)c1)c1Br

InChI

InChI=1S/C14H10BrN3O2S/c1-20-12-6-5-8(7-9(12)15)14(19)16-10-3-2-4-11-13(10)18-21-17-11/h2-7H,1H3,(H,16,19)

InChI Key

UEDRWPZCRVMOCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.888

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-4.22

Polar Surface Area

51.215

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 8017-4411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4411?
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What is the minimum amount of 8017-4411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4411
  • 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 8017-4411 available by request