8010-0200 Screening compound: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinyl)sulfanyl]-N~1~-(5-methyl-3-isoxazolyl)acetamide

8010-0200 Screening compound: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinyl)sulfanyl]-N~1~-(5-methyl-3-isoxazolyl)acetamide
8010-0200 Screening compound: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinyl)sulfanyl]-N~1~-(5-methyl-3-isoxazolyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0200
2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinyl)sulfanyl]-N~1~-(5-methyl-3-isoxazolyl)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

8010-0200

Molecular Formula

C17H16N4O4S (C17 H16 N4 O4 S)

Compound Name

2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinyl)sulfanyl]-N~1~-(5-methyl-3-isoxazolyl)acetamide

IUPAC name

2-[(5-benzyl-46-dioxo-1456-tetrahydropyrimidin-2-yl)sulfanyl]-N-(5-methyl-12-oxazol-3-yl)acetamide

SMILES

Cc1cc(NC(CSC(NC(C2Cc3ccccc3)=O)=NC2=O)=O)no1

InChI

InChI=1S/C17H16N4O4S/c1-10-7-13(21-25-10)18-14(22)9-26-17-19-15(23)12(16(24)20-17)8-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3,(H,18,21,22)(H,19,20,23,24)

InChI Key

XTVWYWYGXNNEOX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.706

Distribution Coefficient, logD

-4.694

Water Solubility, LogSw

-2.55

Polar Surface Area

92.968

Acid Dissociation Constant (pKa)

1.00

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

References: we are preparing a list of scientific research reports with 8010-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0200?
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What is the minimum amount of 8010-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0200
  • 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 8010-0200 available by request