Y040-4817 Screening compound: methyl 4-(4-bromophenyl)-2-(7-methoxy-8-methyl-2-oxo-2H-chromen-4-yl)-4-oxobutanoate

Y040-4817 Screening compound: methyl 4-(4-bromophenyl)-2-(7-methoxy-8-methyl-2-oxo-2H-chromen-4-yl)-4-oxobutanoate
Y040-4817 Screening compound: methyl 4-(4-bromophenyl)-2-(7-methoxy-8-methyl-2-oxo-2H-chromen-4-yl)-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4817
methyl 4-(4-bromophenyl)-2-(7-methoxy-8-methyl-2-oxo-2H-chromen-4-yl)-4-oxobutanoate

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

Y040-4817

Molecular Formula

C22H19BrO6 (C22 H19 BrO6)

Compound Name

methyl 4-(4-bromophenyl)-2-(7-methoxy-8-methyl-2-oxo-2H-chromen-4-yl)-4-oxobutanoate

IUPAC name

methyl 4-(4-bromophenyl)-2-(7-methoxy-8-methyl-2-oxo-2H-chromen-4-yl)-4-oxobutanoate

SMILES

Cc(c(O1)c(cc2)C(C(CC(c(cc3)ccc3Br)=O)C(OC)=O)=CC1=O)c2OC

InChI

InChI=1S/C22H19BrO6/c1-12-19(27-2)9-8-15-16(11-20(25)29-21(12)15)17(22(26)28-3)10-18(24)13-4-6-14(23)7-5-13/h4-9,11,17H,10H2,1-3H3/t17-/m1/s1

InChI Key

NGSHGQCDPYAVEC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD09856641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.29

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

4.382

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.54

Polar Surface Area

62.110

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

Y040-4817 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y040-4817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4817?
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What is the minimum amount of Y040-4817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4817
  • 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 Y040-4817 available by request