D635-0131 Screening compound: 4-butyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one

D635-0131 Screening compound: 4-butyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one
D635-0131 Screening compound: 4-butyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D635-0131
4-butyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one

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

D635-0131

Molecular Formula

C19H26N2O3 (C19 H26 N2 O3)

Compound Name

4-butyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one

IUPAC name

4-butyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one

SMILES

CCCCC(c(ccc(O)c1CN2CCN(C)CC2)c1O1)=CC1=O

InChI

InChI=1S/C19H26N2O3/c1-3-4-5-14-12-18(23)24-19-15(14)6-7-17(22)16(19)13-21-10-8-20(2)9-11-21/h6-7,12,22H,3-5,8-11,13H2,1-2H3

InChI Key

KDKPNWODXFTQHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03850527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.793

Distribution Coefficient, logD

1.994

Water Solubility, LogSw

-3.18

Polar Surface Area

44.087

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

D635-0131 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D635-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D635-0131?
Check Price and Availability of D635-0131, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D635-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D635-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D635-0131
  • 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 D635-0131 available by request