4151-0476 Screening compound: 2-[(4,6-dihydroxy-2-pyrimidinyl)sulfanyl]-1-(2,3-dimethyl-1H-indol-1-yl)-1-ethanone

4151-0476 Screening compound: 2-[(4,6-dihydroxy-2-pyrimidinyl)sulfanyl]-1-(2,3-dimethyl-1H-indol-1-yl)-1-ethanone
4151-0476 Screening compound: 2-[(4,6-dihydroxy-2-pyrimidinyl)sulfanyl]-1-(2,3-dimethyl-1H-indol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4151-0476
2-[(4,6-dihydroxy-2-pyrimidinyl)sulfanyl]-1-(2,3-dimethyl-1H-indol-1-yl)-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

4151-0476

Molecular Formula

C16H15N3O3S (C16 H15 N3 O3 S)

Compound Name

2-[(4,6-dihydroxy-2-pyrimidinyl)sulfanyl]-1-(2,3-dimethyl-1H-indol-1-yl)-1-ethanone

IUPAC name

2-[(46-dihydroxypyrimidin-2-yl)sulfanyl]-1-(23-dimethyl-1H-indol-1-yl)ethan-1-one

SMILES

Cc1c(C)n(C(CSc2nc(O)cc(O)n2)=O)c2c1cccc2

InChI

InChI=1S/C16H15N3O3S/c1-9-10(2)19(12-6-4-3-5-11(9)12)15(22)8-23-16-17-13(20)7-14(21)18-16/h3-7H,8H2,1-2H3,(H2,17,18,20,21)

InChI Key

IHUFDMRYOYZWFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02817267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.173

Distribution Coefficient, logD

1.819

Water Solubility, LogSw

-2.51

Polar Surface Area

66.662

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with 4151-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4151-0476?
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What is the minimum amount of 4151-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4151-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4151-0476
  • 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 4151-0476 available by request