K638-0079 Screening compound: 4-[6-amino-5-cyano-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl benzoate

K638-0079 Screening compound: 4-[6-amino-5-cyano-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl benzoate
K638-0079 Screening compound: 4-[6-amino-5-cyano-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K638-0079
4-[6-amino-5-cyano-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl benzoate

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

K638-0079

Molecular Formula

C29H24N4O5 (C29 H24 N4 O5)

Compound Name

4-[6-amino-5-cyano-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl benzoate

IUPAC name

4-[6-amino-5-cyano-3-(4-methylphenyl)-1H4H-pyrano[23-c]pyrazol-4-yl]-26-dimethoxyphenyl benzoate

SMILES

Cc(cc1)ccc1-c1n[nH]c2c1C(c(cc1OC)cc(OC)c1OC(c1ccccc1)=O)C(C#N)=C(N)O2

InChI

InChI=1S/C29H24N4O5/c1-16-9-11-17(12-10-16)25-24-23(20(15-30)27(31)38-28(24)33-32-25)19-13-21(35-2)26(22(14-19)36-3)37-29(34)18-7-5-4-6-8-18/h4-14,23H,31H2,1-3H3,(H,32,33)/t23-/m0/s1

InChI Key

GOMKHKVFRLLBGZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02652420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.348

Distribution Coefficient, logD

4.348

Water Solubility, LogSw

-4.55

Polar Surface Area

106.285

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with K638-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K638-0079?
Check Price and Availability of K638-0079, 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 K638-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K638-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K638-0079
  • 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 K638-0079 available by request