C799-0442 Screening compound: methyl 3-amino-4-[(3-methoxy-3-oxopropyl)sulfanyl]benzoate

C799-0442 Screening compound: methyl 3-amino-4-[(3-methoxy-3-oxopropyl)sulfanyl]benzoate
C799-0442 Screening compound: methyl 3-amino-4-[(3-methoxy-3-oxopropyl)sulfanyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0442
methyl 3-amino-4-[(3-methoxy-3-oxopropyl)sulfanyl]benzoate

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

C799-0442

Molecular Formula

C12H15NO4S (C12 H15 NO4 S)

Compound Name

methyl 3-amino-4-[(3-methoxy-3-oxopropyl)sulfanyl]benzoate

IUPAC name

methyl 3-amino-4-[(3-methoxy-3-oxopropyl)sulfanyl]benzoate

SMILES

COC(CCSc(ccc(C(OC)=O)c1)c1N)=O

InChI

InChI=1S/C12H15NO4S/c1-16-11(14)5-6-18-10-4-3-8(7-9(10)13)12(15)17-2/h3-4,7H,5-6,13H2,1-2H3

InChI Key

SNSXPZDAQDESTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13344018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-2.53

Polar Surface Area

62.087

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C799-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0442?
Check Price and Availability of C799-0442, 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 C799-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0442
  • 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 C799-0442 available by request