4243-0194 Screening compound: 2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-4H-benzo[h]chromene-3-carbonitrile

4243-0194 Screening compound: 2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-4H-benzo[h]chromene-3-carbonitrile
4243-0194 Screening compound: 2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-4H-benzo[h]chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4243-0194
2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-4H-benzo[h]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

4243-0194

Molecular Formula

C28H22N2O3 (C28 H22 N2 O3)

Compound Name

2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-4H-benzo[h]chromene-3-carbonitrile

IUPAC name

2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-4H-benzo[h]chromene-3-carbonitrile

SMILES

COc(cc(C1C(C#N)=C(N)Oc2c1ccc1ccccc12)cc1)c1OCc1ccccc1

InChI

InChI=1S/C28H22N2O3/c1-31-25-15-20(12-14-24(25)32-17-18-7-3-2-4-8-18)26-22-13-11-19-9-5-6-10-21(19)27(22)33-28(30)23(26)16-29/h2-15,26H,17,30H2,1H3/t26-/m1/s1

InChI Key

COFQPQIGILBZPM-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03447324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.272

Distribution Coefficient, logD

5.272

Water Solubility, LogSw

-6.38

Polar Surface Area

60.651

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

4243-0194 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4243-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4243-0194?
Check Price and Availability of 4243-0194, 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 4243-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4243-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4243-0194
  • 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 4243-0194 available by request