4657-0181 Screening compound: 2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide

4657-0181 Screening compound: 2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
4657-0181 Screening compound: 2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4657-0181
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)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

4657-0181

Molecular Formula

C13H14N4O2S (C13 H14 N4 O2 S)

Compound Name

2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide

IUPAC name

2-[(4-amino-6-oxo-16-dihydropyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide

SMILES

Cc1cccc(NC(CSC(N2)=NC(N)=CC2=O)=O)c1

InChI

InChI=1S/C13H14N4O2S/c1-8-3-2-4-9(5-8)15-12(19)7-20-13-16-10(14)6-11(18)17-13/h2-6H,7H2,1H3,(H,15,19)(H3,14,16,17,18)

InChI Key

HZHADLRQLDFDHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02818596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.843

Distribution Coefficient, logD

0.841

Water Solubility, LogSw

-2.24

Polar Surface Area

77.830

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 4657-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4657-0181?
Check Price and Availability of 4657-0181, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4657-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4657-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4657-0181
  • 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 4657-0181 available by request