Y040-4837 Screening compound: methyl 2-(6-chloro-7-methoxy-2-oxo-2H-chromen-4-yl)-4-oxo-4-phenylbutanoate

Y040-4837 Screening compound: methyl 2-(6-chloro-7-methoxy-2-oxo-2H-chromen-4-yl)-4-oxo-4-phenylbutanoate
Y040-4837 Screening compound: methyl 2-(6-chloro-7-methoxy-2-oxo-2H-chromen-4-yl)-4-oxo-4-phenylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4837
methyl 2-(6-chloro-7-methoxy-2-oxo-2H-chromen-4-yl)-4-oxo-4-phenylbutanoate

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

Y040-4837

Molecular Formula

C21H17ClO6 (C21 H17 ClO6)

Compound Name

methyl 2-(6-chloro-7-methoxy-2-oxo-2H-chromen-4-yl)-4-oxo-4-phenylbutanoate

IUPAC name

methyl 2-(6-chloro-7-methoxy-2-oxo-2H-chromen-4-yl)-4-oxo-4-phenylbutanoate

SMILES

COC(C(CC(c1ccccc1)=O)C(c(c(O1)c2)cc(Cl)c2OC)=CC1=O)=O

InChI

InChI=1S/C21H17ClO6/c1-26-19-11-18-14(8-16(19)22)13(10-20(24)28-18)15(21(25)27-2)9-17(23)12-6-4-3-5-7-12/h3-8,10-11,15H,9H2,1-2H3/t15-/m1/s1

InChI Key

WPOMPZOVFTWJJL-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD12202583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.82

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.756

Water Solubility, LogSw

-4.27

Polar Surface Area

62.425

Acid Dissociation Constant (pKa)

20.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

Y040-4837 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

STING Agonist Library (5895 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y040-4837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4837?
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What is the minimum amount of Y040-4837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4837
  • 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 Y040-4837 available by request