Y040-3897 Screening compound: 3-(7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoic acid

Y040-3897 Screening compound: 3-(7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoic acid
Y040-3897 Screening compound: 3-(7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3897
3-(7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoic 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

Y040-3897

Molecular Formula

C18H22O5 (C18 H22 O5)

Compound Name

3-(7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoic acid

IUPAC name

3-(7-butoxy-48-dimethyl-2-oxo-2H-chromen-3-yl)propanoic acid

SMILES

CCCCOc(cc1)c(C)c(O2)c1C(C)=C(CCC(O)=O)C2=O

InChI

InChI=1S/C18H22O5/c1-4-5-10-22-15-8-6-13-11(2)14(7-9-16(19)20)18(21)23-17(13)12(15)3/h6,8H,4-5,7,9-10H2,1-3H3,(H,19,20)

InChI Key

CKWSWUQRTABELI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03850761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

1.396

Water Solubility, LogSw

-3.96

Polar Surface Area

56.733

Acid Dissociation Constant (pKa)

4.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with Y040-3897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3897?
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What is the minimum amount of Y040-3897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3897
  • 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 Y040-3897 available by request