7610-2197 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

7610-2197 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
7610-2197 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7610-2197
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-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

7610-2197

Molecular Formula

C18H15BrN2O4 (C18 H15 BrN2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(3-bromophenyl)-45-dihydro-12-oxazole-5-carboxamide

SMILES

O=C(C(C1)ON=C1c1cccc(Br)c1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C18H15BrN2O4/c19-13-3-1-2-12(7-13)14-8-17(25-21-14)18(22)20-9-11-4-5-15-16(6-11)24-10-23-15/h1-7,17H,8-10H2,(H,20,22)/t17-/m1/s1

InChI Key

UHEQYUBAQCODRU-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05995856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.64

Polar Surface Area

64.361

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

7610-2197 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 7610-2197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7610-2197?
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What is the minimum amount of 7610-2197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7610-2197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7610-2197
  • 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 7610-2197 available by request