Y040-3304 Screening compound: 2-amino-7-[(3,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4H-chromen-4-one

Y040-3304 Screening compound: 2-amino-7-[(3,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4H-chromen-4-one
Y040-3304 Screening compound: 2-amino-7-[(3,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3304
2-amino-7-[(3,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4H-chromen-4-one

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

Y040-3304

Molecular Formula

C22H18Cl2N2O3S (C22 H18 Cl2 N2 O3 S)

Compound Name

2-amino-7-[(3,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4H-chromen-4-one

IUPAC name

2-amino-7-[(34-dichlorophenyl)methoxy]-6-ethyl-3-(4-methyl-13-thiazol-2-yl)-4H-chromen-4-one

SMILES

CCc(cc(c(OC(N)=C1c2nc(C)cs2)c2)C1=O)c2OCc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C22H18Cl2N2O3S/c1-3-13-7-14-18(8-17(13)28-9-12-4-5-15(23)16(24)6-12)29-21(25)19(20(14)27)22-26-11(2)10-30-22/h4-8,10H,3,9,25H2,1-2H3

InChI Key

OZJRCHHHXQPVRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10040994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.027

Distribution Coefficient, logD

6.027

Water Solubility, LogSw

-6.08

Polar Surface Area

59.510

Acid Dissociation Constant (pKa)

16.57

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

Y040-3304 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-3304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3304?
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What is the minimum amount of Y040-3304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3304
  • 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 Y040-3304 available by request