3643-2457 Screening compound: 8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-4-methyl-2H-chromen-2-one

3643-2457 Screening compound: 8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-4-methyl-2H-chromen-2-one
3643-2457 Screening compound: 8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-4-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-2457
8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-4-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

3643-2457

Molecular Formula

C19H27NO3 (C19 H27 NO3)

Compound Name

8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-4-methyl-2H-chromen-2-one

IUPAC name

8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-4-methyl-2H-chromen-2-one

SMILES

CC(C)CN(CC(C)C)Cc(c(O1)c(cc2)C(C)=CC1=O)c2O

InChI

InChI=1S/C19H27NO3/c1-12(2)9-20(10-13(3)4)11-16-17(21)7-6-15-14(5)8-18(22)23-19(15)16/h6-8,12-13,21H,9-11H2,1-5H3

InChI Key

NYWKKCSHKDEUOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00591120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.288

Distribution Coefficient, logD

3.174

Water Solubility, LogSw

-3.99

Polar Surface Area

40.861

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

3643-2457 in Drug Discovery

Included in Screening Libraries

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 3643-2457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-2457?
Check Price and Availability of 3643-2457, 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 3643-2457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-2457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-2457
  • 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 3643-2457 available by request