Y043-5448 Screening compound: ethyl 5-methyl-2-({2-[(1-methyl-1H-indol-4-yl)oxy]acetyl}amino)-1,3-thiazole-4-carboxylate

Y043-5448 Screening compound: ethyl 5-methyl-2-({2-[(1-methyl-1H-indol-4-yl)oxy]acetyl}amino)-1,3-thiazole-4-carboxylate
Y043-5448 Screening compound: ethyl 5-methyl-2-({2-[(1-methyl-1H-indol-4-yl)oxy]acetyl}amino)-1,3-thiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5448
ethyl 5-methyl-2-({2-[(1-methyl-1H-indol-4-yl)oxy]acetyl}amino)-1,3-thiazole-4-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

Y043-5448

Molecular Formula

C18H19N3O4S (C18 H19 N3 O4 S)

Compound Name

ethyl 5-methyl-2-({2-[(1-methyl-1H-indol-4-yl)oxy]acetyl}amino)-1,3-thiazole-4-carboxylate

IUPAC name

ethyl 5-methyl-2-{2-[(1-methyl-1H-indol-4-yl)oxy]acetamido}-13-thiazole-4-carboxylate

SMILES

CCOC(c1c(C)sc(NC(COc2c(ccn3C)c3ccc2)=O)n1)=O

InChI

InChI=1S/C18H19N3O4S/c1-4-24-17(23)16-11(2)26-18(20-16)19-15(22)10-25-14-7-5-6-13-12(14)8-9-21(13)3/h5-9H,4,10H2,1-3H3,(H,19,20,22)

InChI Key

PFTHWLDEENFDEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29057618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.499

Distribution Coefficient, logD

3.445

Water Solubility, LogSw

-3.68

Polar Surface Area

64.939

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

Y043-5448 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-5448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5448?
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What is the minimum amount of Y043-5448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5448
  • 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 Y043-5448 available by request