K906-2931 Screening compound: 3-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

K906-2931 Screening compound: 3-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
K906-2931 Screening compound: 3-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2931
3-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-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

K906-2931

Molecular Formula

C25H30N4O5S (C25 H30 N4 O5 S)

Compound Name

3-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-23-dihydro-13-benzoxazol-2-one

SMILES

CC(CN(CC1)C(CN(c(ccc(S(N2CCCC2)(=O)=O)c2)c2O2)C2=O)=O)N1c1ccc(C)cc1

InChI

InChI=1S/C25H30N4O5S/c1-18-5-7-20(8-6-18)28-14-13-26(16-19(28)2)24(30)17-29-22-10-9-21(15-23(22)34-25(29)31)35(32,33)27-11-3-4-12-27/h5-10,15,19H,3-4,11-14,16-17H2,1-2H3/t19-/m0/s1

InChI Key

HPRKIZHJZNSYQV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15113082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.831

Water Solubility, LogSw

-3.50

Polar Surface Area

74.015

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

K906-2931 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K906-2931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2931?
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What is the minimum amount of K906-2931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2931
  • 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 K906-2931 available by request