8017-2484 Screening compound: 1-[2-isopropyl-3-[(4-methylphenyl)sulfonyl]tetrahydro-1(2H)-pyrimidinyl]-2-morpholino-1-ethanone

8017-2484 Screening compound: 1-[2-isopropyl-3-[(4-methylphenyl)sulfonyl]tetrahydro-1(2H)-pyrimidinyl]-2-morpholino-1-ethanone
8017-2484 Screening compound: 1-[2-isopropyl-3-[(4-methylphenyl)sulfonyl]tetrahydro-1(2H)-pyrimidinyl]-2-morpholino-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2484
1-[2-isopropyl-3-[(4-methylphenyl)sulfonyl]tetrahydro-1(2H)-pyrimidinyl]-2-morpholino-1-ethanone

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

8017-2484

Molecular Formula

C20H31N3O4S (C20 H31 N3 O4 S)

Compound Name

1-[2-isopropyl-3-[(4-methylphenyl)sulfonyl]tetrahydro-1(2H)-pyrimidinyl]-2-morpholino-1-ethanone

IUPAC name

1-[3-(4-methylbenzenesulfonyl)-2-(propan-2-yl)-13-diazinan-1-yl]-2-(morpholin-4-yl)ethan-1-one

SMILES

CC(C)C(N(CCC1)C(CN2CCOCC2)=O)N1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C20H31N3O4S/c1-16(2)20-22(19(24)15-21-11-13-27-14-12-21)9-4-10-23(20)28(25,26)18-7-5-17(3)6-8-18/h5-8,16,20H,4,9-15H2,1-3H3/t20-/m0/s1

InChI Key

PVAXUUNOOPJVAZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03634440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

1.914

Water Solubility, LogSw

-2.58

Polar Surface Area

59.709

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

8017-2484 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8017-2484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2484?
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What is the minimum amount of 8017-2484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2484
  • 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 8017-2484 available by request