Y043-5062 Screening compound: methyl 2-({2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)acetate

Y043-5062 Screening compound: methyl 2-({2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)acetate
Y043-5062 Screening compound: methyl 2-({2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5062
methyl 2-({2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)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

Y043-5062

Molecular Formula

C20H23NO7 (C20 H23 NO7)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CC1)Oc2c1c(OC(C=C1C)=O)c1c(OCC(NCC(OC)=O)=O)c2

InChI

InChI=1S/C20H23NO7/c1-11-7-16(23)27-19-12-5-6-20(2,3)28-13(12)8-14(18(11)19)26-10-15(22)21-9-17(24)25-4/h7-8H,5-6,9-10H2,1-4H3,(H,21,22)

InChI Key

MDXVYHVIEXBDNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31751338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.172

Distribution Coefficient, logD

2.172

Water Solubility, LogSw

-2.56

Polar Surface Area

79.299

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

Y043-5062 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y043-5062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5062?
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What is the minimum amount of Y043-5062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5062
  • 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 Y043-5062 available by request