2693-0049 Screening compound: methyl 2-{2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-4-methylpentanoate

2693-0049 Screening compound: methyl 2-{2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-4-methylpentanoate
2693-0049 Screening compound: methyl 2-{2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2693-0049
methyl 2-{2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-4-methylpentanoate

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

2693-0049

Molecular Formula

C19H23N3O5S (C19 H23 N3 O5 S)

Compound Name

methyl 2-{2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-4-methylpentanoate

IUPAC name

methyl 2-{2-[(46-dioxo-5-phenyl-1456-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-4-methylpentanoate

SMILES

CC(C)CC(C(OC)=O)NC(CSC(NC(C1c2ccccc2)=O)=NC1=O)=O

InChI

InChI=1S/C19H23N3O5S/c1-11(2)9-13(18(26)27-3)20-14(23)10-28-19-21-16(24)15(17(25)22-19)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3,(H,20,23)(H,21,22,24,25)

InChI Key

NOTHQIDKQDAFFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01646959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.209

Distribution Coefficient, logD

-6.913

Water Solubility, LogSw

-2.19

Polar Surface Area

93.570

Acid Dissociation Constant (pKa)

1.45

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

2693-0049 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2693-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2693-0049?
Check Price and Availability of 2693-0049, 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 2693-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2693-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2693-0049
  • 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 2693-0049 available by request