1785-2551 Screening compound: 2-[1-(3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

1785-2551 Screening compound: 2-[1-(3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione
1785-2551 Screening compound: 2-[1-(3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1785-2551
2-[1-(3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

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

1785-2551

Molecular Formula

C16H15N3O3 (C16 H15 N3 O3)

Compound Name

2-[1-(3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[1-(35-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

CC(C(n1nc(C)cc1C)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C16H15N3O3/c1-9-8-10(2)19(17-9)14(20)11(3)18-15(21)12-6-4-5-7-13(12)16(18)22/h4-8,11H,1-3H3/t11-/m0/s1

InChI Key

UEZOICZTUUDXEJ-NSHDSACASA-N

MDL Number (MFCD)

MFCD00818245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.282

Distribution Coefficient, logD

1.282

Water Solubility, LogSw

-1.98

Polar Surface Area

56.171

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

1785-2551 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1785-2551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1785-2551?
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What is the minimum amount of 1785-2551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1785-2551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1785-2551
  • 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 1785-2551 available by request