S024-4461 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-{2-ethyl-2H,3H-imidazo[1,2-c]pyrimidin-7-yl}piperazin-1-yl)propan-1-one

S024-4461 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-{2-ethyl-2H,3H-imidazo[1,2-c]pyrimidin-7-yl}piperazin-1-yl)propan-1-one
S024-4461 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-{2-ethyl-2H,3H-imidazo[1,2-c]pyrimidin-7-yl}piperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S024-4461
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-{2-ethyl-2H,3H-imidazo[1,2-c]pyrimidin-7-yl}piperazin-1-yl)propan-1-one

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

S024-4461

Molecular Formula

C20H29N7O (C20 H29 N7 O)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-{2-ethyl-2H,3H-imidazo[1,2-c]pyrimidin-7-yl}piperazin-1-yl)propan-1-one

IUPAC name

3-(35-dimethyl-1H-pyrazol-1-yl)-1-(4-{2-ethyl-2H3H-imidazo[12-c]pyrimidin-7-yl}piperazin-1-yl)propan-1-one

SMILES

CCC(C1)N=C2N1C=NC(N(CC1)CCN1C(CCn1nc(C)cc1C)=O)=C2

InChI

InChI=1S/C20H29N7O/c1-4-17-13-26-14-21-18(12-19(26)22-17)24-7-9-25(10-8-24)20(28)5-6-27-16(3)11-15(2)23-27/h11-12,14,17H,4-10,13H2,1-3H3/t17-/m1/s1

InChI Key

WKYDXJGUDWOTLZ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29028605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.483

Distribution Coefficient, logD

-4.043

Water Solubility, LogSw

-0.93

Polar Surface Area

57.499

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

11.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S024-4461 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S024-4461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S024-4461?
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What is the minimum amount of S024-4461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S024-4461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S024-4461
  • 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 S024-4461 available by request