Y043-8279 Screening compound: methyl 5-isobutyl-2-{[(1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}-1,3-thiazole-4-carboxylate

Y043-8279 Screening compound: methyl 5-isobutyl-2-{[(1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}-1,3-thiazole-4-carboxylate
Y043-8279 Screening compound: methyl 5-isobutyl-2-{[(1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}-1,3-thiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8279
methyl 5-isobutyl-2-{[(1-oxo-1H-isothiochromen-3-yl)carbonyl]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

Y043-8279

Molecular Formula

C19H18N2O4S2 (C19 H18 N2 O4 S2)

Compound Name

methyl 5-isobutyl-2-{[(1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}-1,3-thiazole-4-carboxylate

IUPAC name

methyl 5-(2-methylpropyl)-2-(1-oxo-1H-isothiochromene-3-amido)-13-thiazole-4-carboxylate

SMILES

CC(C)Cc1c(C(OC)=O)nc(NC(C(S2)=Cc(cccc3)c3C2=O)=O)s1

InChI

InChI=1S/C19H18N2O4S2/c1-10(2)8-13-15(17(23)25-3)20-19(27-13)21-16(22)14-9-11-6-4-5-7-12(11)18(24)26-14/h4-7,9-10H,8H2,1-3H3,(H,20,21,22)

InChI Key

HJACNJVOGFMUEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.602

Water Solubility, LogSw

-4.56

Polar Surface Area

68.314

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

-5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

Y043-8279 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 Y043-8279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8279?
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What is the minimum amount of Y043-8279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8279
  • 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 Y043-8279 available by request