4333-3971 Screening compound: 6-Amino-4-biphenyl-4-yl-3-(3,4,5-trimethoxy-phenyl)-1,4-dihydro-pyrano[2,3-c]pyr

4333-3971 Screening compound: 6-Amino-4-biphenyl-4-yl-3-(3,4,5-trimethoxy-phenyl)-1,4-dihydro-pyrano[2,3-c]pyr
4333-3971 Screening compound: 6-Amino-4-biphenyl-4-yl-3-(3,4,5-trimethoxy-phenyl)-1,4-dihydro-pyrano[2,3-c]pyr alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-3971
6-Amino-4-biphenyl-4-yl-3-(3,4,5-trimethoxy-phenyl)-1,4-dihydro-pyrano[2,3-c]pyr

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

4333-3971

Molecular Formula

C28H24N4O4 (C28 H24 N4 O4)

Compound Name

6-Amino-4-biphenyl-4-yl-3-(3,4,5-trimethoxy-phenyl)-1,4-dihydro-pyrano[2,3-c]pyr

IUPAC name

6-amino-4-{[11'-biphenyl]-4-yl}-3-(345-trimethoxyphenyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

COc1cc(-c2n[nH]c3c2C(c(cc2)ccc2-c2ccccc2)C(C#N)=C(N)O3)cc(OC)c1OC

InChI

InChI=1S/C28H24N4O4/c1-33-21-13-19(14-22(34-2)26(21)35-3)25-24-23(20(15-29)27(30)36-28(24)32-31-25)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-14,23H,30H2,1-3H3,(H,31,32)/t23-/m1/s1

InChI Key

YHFHKFQLFMIEQI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD01971706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.398

Distribution Coefficient, logD

4.398

Water Solubility, LogSw

-4.74

Polar Surface Area

93.179

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

4333-3971 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4333-3971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-3971?
Check Price and Availability of 4333-3971, 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 4333-3971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-3971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-3971
  • 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 4333-3971 available by request