4013-2784 Screening compound: 3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-5,5-dimethyl-1H-imidazole-2,4(3H,5H)-dione

4013-2784 Screening compound: 3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-5,5-dimethyl-1H-imidazole-2,4(3H,5H)-dione
4013-2784 Screening compound: 3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-5,5-dimethyl-1H-imidazole-2,4(3H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4013-2784
3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-5,5-dimethyl-1H-imidazole-2,4(3H,5H)-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

4013-2784

Molecular Formula

C13H20N4O3 (C13 H20 N4 O3)

Compound Name

3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-5,5-dimethyl-1H-imidazole-2,4(3H,5H)-dione

IUPAC name

3-[3-(35-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-55-dimethylimidazolidine-24-dione

SMILES

CC(C)(C(N1CC(Cn2nc(C)cc2C)O)=O)NC1=O

InChI

InChI=1S/C13H20N4O3/c1-8-5-9(2)17(15-8)7-10(18)6-16-11(19)13(3,4)14-12(16)20/h5,10,18H,6-7H2,1-4H3,(H,14,20)/t10-/m0/s1

InChI Key

ZMXYJONAFPIYBK-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.533

Distribution Coefficient, logD

-0.534

Water Solubility, LogSw

-1.63

Polar Surface Area

71.746

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.54

4013-2784 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4013-2784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4013-2784?
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What is the minimum amount of 4013-2784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4013-2784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4013-2784
  • 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 4013-2784 available by request