K638-0109 Screening compound: 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

K638-0109 Screening compound: 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
K638-0109 Screening compound: 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound K638-0109
2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

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

K638-0109

Molecular Formula

C21H16N2O6 (C21 H16 N2 O6)

Compound Name

2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

IUPAC name

2-amino-4-(4-hydroxy-35-dimethoxyphenyl)-5-oxo-4H5H-pyrano[32-c]chromene-3-carbonitrile

SMILES

COc1cc(C2C(C#N)=C(N)OC(c(cccc3)c3O3)=C2C3=O)cc(OC)c1O

InChI

InChI=1S/C21H16N2O6/c1-26-14-7-10(8-15(27-2)18(14)24)16-12(9-22)20(23)29-19-11-5-3-4-6-13(11)28-21(25)17(16)19/h3-8,16,24H,23H2,1-2H3/t16-/m1/s1

InChI Key

QBNQKFKLKRVKAE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00551574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.559

Distribution Coefficient, logD

1.558

Water Solubility, LogSw

-2.22

Polar Surface Area

98.440

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

K638-0109 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with K638-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K638-0109?
Check Price and Availability of K638-0109, 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 K638-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K638-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K638-0109
  • 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 K638-0109 available by request