6997-0762 Screening compound: 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-6-hydroxy-5-methyl-3-phenyl-3,4-dihydropyrimidin-4-one

6997-0762 Screening compound: 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-6-hydroxy-5-methyl-3-phenyl-3,4-dihydropyrimidin-4-one
6997-0762 Screening compound: 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-6-hydroxy-5-methyl-3-phenyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6997-0762
2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-6-hydroxy-5-methyl-3-phenyl-3,4-dihydropyrimidin-4-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

6997-0762

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-6-hydroxy-5-methyl-3-phenyl-3,4-dihydropyrimidin-4-one

IUPAC name

2-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-6-hydroxy-5-methyl-3-phenyl-34-dihydropyrimidin-4-one

SMILES

CC(C(N(c1ccccc1)C(SCC(N(CC1)c2c1cccc2)=O)=N1)=O)=C1O

InChI

InChI=1S/C21H19N3O3S/c1-14-19(26)22-21(24(20(14)27)16-8-3-2-4-9-16)28-13-18(25)23-12-11-15-7-5-6-10-17(15)23/h2-10,26H,11-13H2,1H3

InChI Key

ZGONWCHRFWORGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06090562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

-0.762

Water Solubility, LogSw

-2.47

Polar Surface Area

56.753

Acid Dissociation Constant (pKa)

4.07

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 6997-0762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6997-0762?
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What is the minimum amount of 6997-0762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6997-0762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6997-0762
  • 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 6997-0762 available by request