6238-0081 Screening compound: 2-amino-4-[4-(propan-2-yl)phenyl]-4H-benzo[h]chromene-3-carbonitrile

6238-0081 Screening compound: 2-amino-4-[4-(propan-2-yl)phenyl]-4H-benzo[h]chromene-3-carbonitrile
6238-0081 Screening compound: 2-amino-4-[4-(propan-2-yl)phenyl]-4H-benzo[h]chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6238-0081
2-amino-4-[4-(propan-2-yl)phenyl]-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

6238-0081

Molecular Formula

C23H20N2O (C23 H20 N2 O)

Compound Name

2-amino-4-[4-(propan-2-yl)phenyl]-4H-benzo[h]chromene-3-carbonitrile

IUPAC name

2-amino-4-[4-(propan-2-yl)phenyl]-4H-benzo[h]chromene-3-carbonitrile

SMILES

CC(C)c1ccc(C2C(C#N)=C(N)Oc3c2ccc2ccccc23)cc1

InChI

InChI=1S/C23H20N2O/c1-14(2)15-7-9-17(10-8-15)21-19-12-11-16-5-3-4-6-18(16)22(19)26-23(25)20(21)13-24/h3-12,14,21H,25H2,1-2H3/t21-/m1/s1

InChI Key

IERAKVBQBIQHLU-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD00811729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.414

Distribution Coefficient, logD

5.414

Water Solubility, LogSw

-6.71

Polar Surface Area

45.706

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

6238-0081 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 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 6238-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6238-0081?
Check Price and Availability of 6238-0081, 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 6238-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6238-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6238-0081
  • 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 6238-0081 available by request