6453-0110 Screening compound: ethyl 2-[(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate

6453-0110 Screening compound: ethyl 2-[(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
6453-0110 Screening compound: ethyl 2-[(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6453-0110
ethyl 2-[(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate

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

6453-0110

Molecular Formula

C15H20N4O3S (C15 H20 N4 O3 S)

Compound Name

ethyl 2-[(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)amino]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCc(c(C)nc(Nc1nc(C)c(C(OCC)=O)s1)n1)c1OC

InChI

InChI=1S/C15H20N4O3S/c1-6-10-8(3)16-14(18-12(10)21-5)19-15-17-9(4)11(23-15)13(20)22-7-2/h6-7H2,1-5H3,(H,16,17,18,19)

InChI Key

PSQTXCDMVBEMJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03878432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.345

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.14

Polar Surface Area

69.111

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

6453-0110 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6453-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6453-0110?
Check Price and Availability of 6453-0110, 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 6453-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6453-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6453-0110
  • 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 6453-0110 available by request