Y042-4499 Screening compound: ethyl 2-(2-{[2-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}-1,3-thiazol-4-yl)acetate

Y042-4499 Screening compound: ethyl 2-(2-{[2-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}-1,3-thiazol-4-yl)acetate
Y042-4499 Screening compound: ethyl 2-(2-{[2-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}-1,3-thiazol-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4499
ethyl 2-(2-{[2-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}-1,3-thiazol-4-yl)acetate

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

Y042-4499

Molecular Formula

C23H22N2O6S (C23 H22 N2 O6 S)

Compound Name

ethyl 2-(2-{[2-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}-1,3-thiazol-4-yl)acetate

IUPAC name

ethyl 2-[2-(2-{359-trimethyl-7-oxo-7H-furo[32-g]chromen-6-yl}acetamido)-13-thiazol-4-yl]acetate

SMILES

CCOC(Cc1csc(NC(CC2=C(C)c(cc(c(C)co3)c3c3C)c3OC2=O)=O)n1)=O

InChI

InChI=1S/C23H22N2O6S/c1-5-29-19(27)6-14-10-32-23(24-14)25-18(26)8-17-12(3)16-7-15-11(2)9-30-20(15)13(4)21(16)31-22(17)28/h7,9-10H,5-6,8H2,1-4H3,(H,24,25,26)

InChI Key

SJGOITMQQJJHNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16622353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.24

Polar Surface Area

84.215

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

References: we are preparing a list of scientific research reports with Y042-4499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4499?
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What is the minimum amount of Y042-4499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4499
  • 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 Y042-4499 available by request