4465-2166 Screening compound: ethyl 4-methyl-2-({[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-thiazol-5-yl]carbamoyl}amino)-1,3-thiazole-5-carboxylate

4465-2166 Screening compound: ethyl 4-methyl-2-({[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-thiazol-5-yl]carbamoyl}amino)-1,3-thiazole-5-carboxylate
4465-2166 Screening compound: ethyl 4-methyl-2-({[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-thiazol-5-yl]carbamoyl}amino)-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4465-2166
ethyl 4-methyl-2-({[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-thiazol-5-yl]carbamoyl}amino)-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

4465-2166

Molecular Formula

C19H21N5O5S3 (C19 H21 N5 O5 S3)

Compound Name

ethyl 4-methyl-2-({[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-thiazol-5-yl]carbamoyl}amino)-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 4-methyl-2-({[4-methyl-2-(4-methylbenzenesulfonamido)-13-thiazol-5-yl]carbamoyl}amino)-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(Nc2c(C)nc(NS(c3ccc(C)cc3)(=O)=O)s2)=O)s1)=O

InChI

InChI=1S/C19H21N5O5S3/c1-5-29-16(25)14-11(3)20-18(30-14)23-17(26)22-15-12(4)21-19(31-15)24-32(27,28)13-8-6-10(2)7-9-13/h6-9H,5H2,1-4H3,(H,21,24)(H2,20,22,23,26)

InChI Key

QPUVZBYMENJCDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-4.12

Polar Surface Area

113.967

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4465-2166 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 4465-2166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4465-2166?
Check Price and Availability of 4465-2166, 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 4465-2166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4465-2166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4465-2166
  • 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 4465-2166 available by request