M830-6511 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazole-5-carboxamide

M830-6511 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
M830-6511 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M830-6511
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazole-5-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

M830-6511

Molecular Formula

C19H16FN3O3S (C19 H16 FN3 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[(4-fluorophenyl)amino]-4-methyl-13-thiazole-5-carboxamide

SMILES

Cc1c(C(Nc(cc2)cc3c2OCCO3)=O)sc(Nc(cc2)ccc2F)n1

InChI

InChI=1S/C19H16FN3O3S/c1-11-17(27-19(21-11)23-13-4-2-12(20)3-5-13)18(24)22-14-6-7-15-16(10-14)26-9-8-25-15/h2-7,10H,8-9H2,1H3,(H,21,23)(H,22,24)

InChI Key

FPCOWXNBBNYION-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13918930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.532

Distribution Coefficient, logD

3.529

Water Solubility, LogSw

-3.88

Polar Surface Area

58.688

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

M830-6511 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M830-6511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M830-6511?
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What is the minimum amount of M830-6511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M830-6511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M830-6511
  • 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 M830-6511 available by request