8017-9916 Screening compound: methyl 2-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}-3-(benzylsulfanyl)propanoate

8017-9916 Screening compound: methyl 2-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}-3-(benzylsulfanyl)propanoate
8017-9916 Screening compound: methyl 2-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}-3-(benzylsulfanyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9916
methyl 2-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}-3-(benzylsulfanyl)propanoate

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

8017-9916

Molecular Formula

C23H24N4O4S2 (C23 H24 N4 O4 S2)

Compound Name

methyl 2-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}-3-(benzylsulfanyl)propanoate

IUPAC name

methyl 2-{2-[(6-amino-4-oxo-1-phenyl-14-dihydropyrimidin-2-yl)sulfanyl]acetamido}-3-(benzylsulfanyl)propanoate

SMILES

COC(C(CSCc1ccccc1)NC(CSC(N(c1ccccc1)C(N)=C1)=NC1=O)=O)=O

InChI

InChI=1S/C23H24N4O4S2/c1-31-22(30)18(14-32-13-16-8-4-2-5-9-16)25-21(29)15-33-23-26-20(28)12-19(24)27(23)17-10-6-3-7-11-17/h2-12,18H,13-15,24H2,1H3,(H,25,29)/t18-/m0/s1

InChI Key

RSPBWNDMJPSJOK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07021722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.779

Distribution Coefficient, logD

1.779

Water Solubility, LogSw

-2.27

Polar Surface Area

89.477

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 8017-9916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9916?
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What is the minimum amount of 8017-9916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9916
  • 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 8017-9916 available by request