6114-0269 Screening compound: 2-amino-7-(diethylamino)-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile

6114-0269 Screening compound: 2-amino-7-(diethylamino)-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile
6114-0269 Screening compound: 2-amino-7-(diethylamino)-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6114-0269
2-amino-7-(diethylamino)-4-(3-methoxyphenyl)-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

6114-0269

Molecular Formula

C21H23N3O2 (C21 H23 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1cc(OC(N)=C(C2c3cc(OC)ccc3)C#N)c2cc1

InChI

InChI=1S/C21H23N3O2/c1-4-24(5-2)15-9-10-17-19(12-15)26-21(23)18(13-22)20(17)14-7-6-8-16(11-14)25-3/h6-12,20H,4-5,23H2,1-3H3/t20-/m1/s1

InChI Key

WPEBTTMOXQGIEQ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01100912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.650

Water Solubility, LogSw

-4.16

Polar Surface Area

56.574

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

6114-0269 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 6114-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6114-0269?
Check Price and Availability of 6114-0269, 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 6114-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6114-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6114-0269
  • 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 6114-0269 available by request