Y040-4401 Screening compound: 2-[2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-3-methylbutanoic acid

Y040-4401 Screening compound: 2-[2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-3-methylbutanoic acid
Y040-4401 Screening compound: 2-[2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4401
2-[2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-3-methylbutanoic acid

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

Y040-4401

Molecular Formula

C18H20ClNO6 (C18 H20 ClNO6)

Compound Name

2-[2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-3-methylbutanoic acid

IUPAC name

(2S)-2-[2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)NC(CC(C(Oc1c2)=O)=C(C)c1cc(Cl)c2OC)=O

InChI

InChI=1S/C18H20ClNO6/c1-8(2)16(17(22)23)20-15(21)6-11-9(3)10-5-12(19)14(25-4)7-13(10)26-18(11)24/h5,7-8,16H,6H2,1-4H3,(H,20,21)(H,22,23)/t16-/m0/s1

InChI Key

ZWQDIIMVCQNQMS-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.651

Distribution Coefficient, logD

-1.936

Water Solubility, LogSw

-2.61

Polar Surface Area

81.022

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

Y040-4401 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-4401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4401?
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What is the minimum amount of Y040-4401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4401
  • 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 Y040-4401 available by request