D178-0059 Screening compound: 3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]benzamide

D178-0059 Screening compound: 3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]benzamide
D178-0059 Screening compound: 3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0059
3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]benzamide

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

D178-0059

Molecular Formula

C18H13BrN2O3S (C18 H13 BrN2 O3 S)

Compound Name

3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]benzamide

IUPAC name

3-bromo-N-[4-(23-dihydro-14-benzodioxin-2-yl)-13-thiazol-2-yl]benzamide

SMILES

O=C(c1cccc(Br)c1)Nc1nc(C2Oc(cccc3)c3OC2)cs1

InChI

InChI=1S/C18H13BrN2O3S/c19-12-5-3-4-11(8-12)17(22)21-18-20-13(10-25-18)16-9-23-14-6-1-2-7-15(14)24-16/h1-8,10,16H,9H2,(H,20,21,22)/t16-/m0/s1

InChI Key

YXANNZVGRSUXCA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09858017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.28

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

5.101

Distribution Coefficient, logD

4.162

Water Solubility, LogSw

-5.23

Polar Surface Area

48.541

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

D178-0059 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D178-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0059?
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What is the minimum amount of D178-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0059
  • 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 D178-0059 available by request