D381-0111 Screening compound: 2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide

D381-0111 Screening compound: 2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
D381-0111 Screening compound: 2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D381-0111
2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-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

D381-0111

Molecular Formula

C18H16BrN3O4S (C18 H16 BrN3 O4 S)

Compound Name

2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide

IUPAC name

2-(4-bromophenoxy)-N-[3-(34-dimethoxyphenyl)-124-thiadiazol-5-yl]acetamide

SMILES

COc(ccc(-c1nsc(NC(COc(cc2)ccc2Br)=O)n1)c1)c1OC

InChI

InChI=1S/C18H16BrN3O4S/c1-24-14-8-3-11(9-15(14)25-2)17-21-18(27-22-17)20-16(23)10-26-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,20,21,22,23)

InChI Key

COVWVGAONVQKAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.422

Distribution Coefficient, logD

4.422

Water Solubility, LogSw

-4.38

Polar Surface Area

66.464

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D381-0111 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D381-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D381-0111?
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What is the minimum amount of D381-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D381-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D381-0111
  • 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 D381-0111 available by request