2693-0018 Screening compound: methyl 4-methyl-2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}pentanoate

2693-0018 Screening compound: methyl 4-methyl-2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}pentanoate
2693-0018 Screening compound: methyl 4-methyl-2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2693-0018
methyl 4-methyl-2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}pentanoate

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

2693-0018

Molecular Formula

C13H20N4O4S (C13 H20 N4 O4 S)

Compound Name

methyl 4-methyl-2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}pentanoate

IUPAC name

methyl 4-methyl-2-{2-[(6-methyl-5-oxo-45-dihydro-124-triazin-3-yl)sulfanyl]acetamido}pentanoate

SMILES

CC(C)CC(C(OC)=O)NC(CSC(N1)=NN=C(C)C1=O)=O

InChI

InChI=1S/C13H20N4O4S/c1-7(2)5-9(12(20)21-4)14-10(18)6-22-13-15-11(19)8(3)16-17-13/h7,9H,5-6H2,1-4H3,(H,14,18)(H,15,17,19)/t9-/m0/s1

InChI Key

AIMCBOTZFQYAMQ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00747704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.896

Distribution Coefficient, logD

0.815

Water Solubility, LogSw

-2.00

Polar Surface Area

89.788

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.50

2693-0018 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2693-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2693-0018?
Check Price and Availability of 2693-0018, 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 2693-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2693-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2693-0018
  • 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 2693-0018 available by request