D323-0216 Screening compound: N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

D323-0216 Screening compound: N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
D323-0216 Screening compound: N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D323-0216
N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

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

D323-0216

Molecular Formula

C17H12BrN3O3S (C17 H12 BrN3 O3 S)

Compound Name

N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-[3-(4-bromophenyl)-124-thiadiazol-5-yl]-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

O=C(C1Oc(cccc2)c2OC1)Nc1nc(-c(cc2)ccc2Br)ns1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.808

Water Solubility, LogSw

-4.91

Polar Surface Area

59.354

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

D323-0216 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D323-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D323-0216?
Check Price and Availability of D323-0216, 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 D323-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D323-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D323-0216
  • 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 D323-0216 available by request