6218-0029 Screening compound: 2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-cyclohexylacetamide

6218-0029 Screening compound: 2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-cyclohexylacetamide
6218-0029 Screening compound: 2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6218-0029
2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-cyclohexylacetamide

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

6218-0029

Molecular Formula

C15H22N4O2S (C15 H22 N4 O2 S)

Compound Name

2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-cyclohexylacetamide

IUPAC name

n/a

SMILES

C=CCN(C(N)=C1)C(SCC(NC2CCCCC2)=O)=NC1=O

InChI

InChI=1S/C15H22N4O2S/c1-2-8-19-12(16)9-13(20)18-15(19)22-10-14(21)17-11-6-4-3-5-7-11/h2,9,11H,1,3-8,10,16H2,(H,17,21)

InChI Key

XZEYSVPJMSXUDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02873782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.251

Distribution Coefficient, logD

1.251

Water Solubility, LogSw

-1.85

Polar Surface Area

69.260

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

References: we are preparing a list of scientific research reports with 6218-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6218-0029?
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What is the minimum amount of 6218-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6218-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6218-0029
  • 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 6218-0029 available by request