4571-0009 Screening compound: ethyl 4-methyl-2-(2-{[4-(methylsulfanyl)-2-(phenylformamido)butanoyl]oxy}butanamido)-1,3-thiazole-5-carboxylate

4571-0009 Screening compound: ethyl 4-methyl-2-(2-{[4-(methylsulfanyl)-2-(phenylformamido)butanoyl]oxy}butanamido)-1,3-thiazole-5-carboxylate
4571-0009 Screening compound: ethyl 4-methyl-2-(2-{[4-(methylsulfanyl)-2-(phenylformamido)butanoyl]oxy}butanamido)-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4571-0009
ethyl 4-methyl-2-(2-{[4-(methylsulfanyl)-2-(phenylformamido)butanoyl]oxy}butanamido)-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

4571-0009

Molecular Formula

C23H29N3O6S2 (C23 H29 N3 O6 S2)

Compound Name

ethyl 4-methyl-2-(2-{[4-(methylsulfanyl)-2-(phenylformamido)butanoyl]oxy}butanamido)-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 4-methyl-2-(2-{[4-(methylsulfanyl)-2-(phenylformamido)butanoyl]oxy}butanamido)-13-thiazole-5-carboxylate

SMILES

CCC(C(Nc1nc(C)c(C(OCC)=O)s1)=O)OC(C(CCSC)NC(c1ccccc1)=O)=O

InChI

InChI=1S/C23H29N3O6S2/c1-5-17(20(28)26-23-24-14(3)18(34-23)22(30)31-6-2)32-21(29)16(12-13-33-4)25-19(27)15-10-8-7-9-11-15/h7-11,16-17H,5-6,12-13H2,1-4H3,(H,25,27)(H,24,26,28)

InChI Key

QFOSXILVUVZEBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04128747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-3.89

Polar Surface Area

99.324

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

4571-0009 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 4571-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4571-0009?
Check Price and Availability of 4571-0009, 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 4571-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4571-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4571-0009
  • 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 4571-0009 available by request