8008-3808 Screening compound: 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

8008-3808 Screening compound: 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
8008-3808 Screening compound: 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3808
3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-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

8008-3808

Molecular Formula

C22H18N2O3 (C22 H18 N2 O3)

Compound Name

3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

IUPAC name

3-amino-1-(34-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

SMILES

COc(ccc(C1C(C#N)=C(N)Oc2c1c1ccccc1cc2)c1)c1OC

InChI

InChI=1S/C22H18N2O3/c1-25-17-9-8-14(11-19(17)26-2)20-16(12-23)22(24)27-18-10-7-13-5-3-4-6-15(13)21(18)20/h3-11,20H,24H2,1-2H3/t20-/m0/s1

InChI Key

OQPUMEYVUKPRSD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00354644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.611

Distribution Coefficient, logD

3.611

Water Solubility, LogSw

-4.12

Polar Surface Area

61.283

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 8008-3808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3808?
Check Price and Availability of 8008-3808, 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 8008-3808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3808
  • 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 8008-3808 available by request