3130-0608 Screening compound: 3-chloro-1-cyclohexyl-4-(4-methylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

3130-0608 Screening compound: 3-chloro-1-cyclohexyl-4-(4-methylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
3130-0608 Screening compound: 3-chloro-1-cyclohexyl-4-(4-methylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3130-0608
3-chloro-1-cyclohexyl-4-(4-methylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-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

3130-0608

Molecular Formula

C15H22ClN3O2 (C15 H22 ClN3 O2)

Compound Name

3-chloro-1-cyclohexyl-4-(4-methylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-chloro-1-cyclohexyl-4-(4-methylpiperazin-1-yl)-25-dihydro-1H-pyrrole-25-dione

SMILES

CN(CC1)CCN1C(C(N(C1CCCCC1)C1=O)=O)=C1Cl

InChI

InChI=1S/C15H22ClN3O2/c1-17-7-9-18(10-8-17)13-12(16)14(20)19(15(13)21)11-5-3-2-4-6-11/h11H,2-10H2,1H3

InChI Key

UUJNISKXXQVAEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02073994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.955

Distribution Coefficient, logD

1.949

Water Solubility, LogSw

-2.44

Polar Surface Area

35.832

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.30

3130-0608 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3130-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3130-0608?
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What is the minimum amount of 3130-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3130-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3130-0608
  • 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 3130-0608 available by request