5228-2650 Screening compound: 1-[2,5-dimethyl-1-(tetrahydro-2-furanylmethyl)-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-ethanone

5228-2650 Screening compound: 1-[2,5-dimethyl-1-(tetrahydro-2-furanylmethyl)-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-ethanone
5228-2650 Screening compound: 1-[2,5-dimethyl-1-(tetrahydro-2-furanylmethyl)-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-2650
1-[2,5-dimethyl-1-(tetrahydro-2-furanylmethyl)-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-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

5228-2650

Molecular Formula

C24H26N4O2S (C24 H26 N4 O2 S)

Compound Name

1-[2,5-dimethyl-1-(tetrahydro-2-furanylmethyl)-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-ethanone

IUPAC name

n/a

SMILES

Cc1cc(C(CSc2nnc3n2c(cccc2)c2c(C)c3)=O)c(C)n1CC1OCCC1

InChI

InChI=1S/C24H26N4O2S/c1-15-11-23-25-26-24(28(23)21-9-5-4-8-19(15)21)31-14-22(29)20-12-16(2)27(17(20)3)13-18-7-6-10-30-18/h4-5,8-9,11-12,18H,6-7,10,13-14H2,1-3H3/t18-/m1/s1

InChI Key

NSOHYQYEABCGBL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03620303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-3.85

Polar Surface Area

44.905

Acid Dissociation Constant (pKa)

16.98

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 5228-2650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-2650?
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What is the minimum amount of 5228-2650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-2650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-2650
  • 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 5228-2650 available by request