Y042-3254 Screening compound: methyl 2-[2-({2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)-1,3-thiazol-4-yl]acetate

Y042-3254 Screening compound: methyl 2-[2-({2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)-1,3-thiazol-4-yl]acetate
Y042-3254 Screening compound: methyl 2-[2-({2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)-1,3-thiazol-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3254
methyl 2-[2-({2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]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

Y042-3254

Molecular Formula

C23H24N2O7S (C23 H24 N2 O7 S)

Compound Name

methyl 2-[2-({2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)-1,3-thiazol-4-yl]acetate

IUPAC name

methyl 2-{2-[2-({488-trimethyl-2-oxo-2H8H9H10H-pyrano[23-h]chromen-5-yl}oxy)acetamido]-13-thiazol-4-yl}acetate

SMILES

CC1(C)Oc2cc(OCC(Nc3nc(CC(OC)=O)cs3)=O)c(C(C)=CC(O3)=O)c3c2CC1

InChI

InChI=1S/C23H24N2O7S/c1-12-7-19(28)31-21-14-5-6-23(2,3)32-15(14)9-16(20(12)21)30-10-17(26)25-22-24-13(11-33-22)8-18(27)29-4/h7,9,11H,5-6,8,10H2,1-4H3,(H,24,25,26)

InChI Key

CKQKDBOWPMLGCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09843264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.36

Polar Surface Area

88.247

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

Y042-3254 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 Y042-3254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3254?
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What is the minimum amount of Y042-3254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3254
  • 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 Y042-3254 available by request