4757-1198 Screening compound: 2-methoxy-4-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]phenyl methyl carbonate

4757-1198 Screening compound: 2-methoxy-4-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]phenyl methyl carbonate
4757-1198 Screening compound: 2-methoxy-4-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]phenyl methyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4757-1198
2-methoxy-4-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]phenyl methyl carbonate

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

4757-1198

Molecular Formula

C16H16N4O5S (C16 H16 N4 O5 S)

Compound Name

2-methoxy-4-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]phenyl methyl carbonate

IUPAC name

2-methoxy-4-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]phenyl methyl carbonate

SMILES

COC(Oc(ccc(/C=N/NC(CSc1ncccn1)=O)c1)c1OC)=O

InChI

InChI=1S/C16H16N4O5S/c1-23-13-8-11(4-5-12(13)25-16(22)24-2)9-19-20-14(21)10-26-15-17-6-3-7-18-15/h3-9H,10H2,1-2H3,(H,20,21)

InChI Key

FCHCLIHJATZXLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02314517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.007

Distribution Coefficient, logD

1.006

Water Solubility, LogSw

-2.42

Polar Surface Area

90.401

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 4757-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4757-1198?
Check Price and Availability of 4757-1198, 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 4757-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4757-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4757-1198
  • 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 4757-1198 available by request