H024-0117 Screening compound: 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide

H024-0117 Screening compound: 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide
H024-0117 Screening compound: 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H024-0117
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-1,2-thiazole-3-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

H024-0117

Molecular Formula

C18H14FN3O3S (C18 H14 FN3 O3 S)

Compound Name

4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide

IUPAC name

4-{[(2H-13-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-12-thiazole-3-carboxamide

SMILES

O=C(c1nscc1NCc(cc1)cc2c1OCO2)Nc(cc1)ccc1F

InChI

InChI=1S/C18H14FN3O3S/c19-12-2-4-13(5-3-12)21-18(23)17-14(9-26-22-17)20-8-11-1-6-15-16(7-11)25-10-24-15/h1-7,9,20H,8,10H2,(H,21,23)

InChI Key

LFCZGKMTJOZORL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.86

Polar Surface Area

60.983

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

H024-0117 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with H024-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H024-0117?
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What is the minimum amount of H024-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H024-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H024-0117
  • 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 H024-0117 available by request