8017-1646 Screening compound: 2-[(4-hydroxy-5,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

8017-1646 Screening compound: 2-[(4-hydroxy-5,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
8017-1646 Screening compound: 2-[(4-hydroxy-5,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1646
2-[(4-hydroxy-5,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

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

8017-1646

Molecular Formula

C15H17N3O3S (C15 H17 N3 O3 S)

Compound Name

2-[(4-hydroxy-5,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

IUPAC name

2-[(4-hydroxy-56-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

SMILES

Cc(c(C)nc(SCC(Nc(cc1)ccc1OC)=O)n1)c1O

InChI

InChI=1S/C15H17N3O3S/c1-9-10(2)16-15(18-14(9)20)22-8-13(19)17-11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H,17,19)(H,16,18,20)

InChI Key

HLHJSEPGYJECFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.404

Distribution Coefficient, logD

2.376

Water Solubility, LogSw

-2.78

Polar Surface Area

65.490

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 8017-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1646?
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What is the minimum amount of 8017-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1646
  • 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 8017-1646 available by request