6114-0268 Screening compound: 2-amino-4-(3-chlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile

6114-0268 Screening compound: 2-amino-4-(3-chlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile
6114-0268 Screening compound: 2-amino-4-(3-chlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6114-0268
2-amino-4-(3-chlorophenyl)-7-(diethylamino)-4H-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

6114-0268

Molecular Formula

C20H20ClN3O (C20 H20 ClN3 O)

Compound Name

2-amino-4-(3-chlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-(3-chlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile

SMILES

CCN(CC)c1cc(OC(N)=C(C2c3cccc(Cl)c3)C#N)c2cc1

InChI

InChI=1S/C20H20ClN3O/c1-3-24(4-2)15-8-9-16-18(11-15)25-20(23)17(12-22)19(16)13-6-5-7-14(21)10-13/h5-11,19H,3-4,23H2,1-2H3/t19-/m0/s1

InChI Key

PLOKADGONDFJSE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01100921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

4.232

Water Solubility, LogSw

-4.66

Polar Surface Area

49.030

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

6114-0268 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 6114-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6114-0268?
Check Price and Availability of 6114-0268, 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 6114-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6114-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6114-0268
  • 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 6114-0268 available by request