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

InChI

InChI=1S/C17H12BrN3O3S/c18-11-7-5-10(6-8-11)15-19-17(25-21-15)20-16(22)14-9-23-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2,(H,19,20,21,22)/t14-/m0/s1

InChI Key

RMBDXDPQWHWURH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08550291

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?
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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