3536-0115 Screening compound: N-(3,4-dichlorophenyl)-2-{[4-(methoxymethyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

3536-0115 Screening compound: N-(3,4-dichlorophenyl)-2-{[4-(methoxymethyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
3536-0115 Screening compound: N-(3,4-dichlorophenyl)-2-{[4-(methoxymethyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3536-0115
N-(3,4-dichlorophenyl)-2-{[4-(methoxymethyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}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

3536-0115

Molecular Formula

C14H13Cl2N3O3S (C14 H13 Cl2 N3 O3 S)

Compound Name

N-(3,4-dichlorophenyl)-2-{[4-(methoxymethyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(34-dichlorophenyl)-2-{[4-(methoxymethyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}acetamide

SMILES

COCC(N=C(N1)SCC(Nc(cc2)cc(Cl)c2Cl)=O)=CC1=O

InChI

InChI=1S/C14H13Cl2N3O3S/c1-22-6-9-5-12(20)19-14(18-9)23-7-13(21)17-8-2-3-10(15)11(16)4-8/h2-5H,6-7H2,1H3,(H,17,21)(H,18,19,20)

InChI Key

IELDUPDPRSQBRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01954151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.576

Distribution Coefficient, logD

1.854

Water Solubility, LogSw

-3.30

Polar Surface Area

66.480

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 3536-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3536-0115?
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What is the minimum amount of 3536-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3536-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3536-0115
  • 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 3536-0115 available by request