8013-2171 Screening compound: 2-amino-7-(diethylamino)-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile

8013-2171 Screening compound: 2-amino-7-(diethylamino)-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile
8013-2171 Screening compound: 2-amino-7-(diethylamino)-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2171
2-amino-7-(diethylamino)-4-(2-fluorophenyl)-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

8013-2171

Molecular Formula

C20H20FN3O (C20 H20 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1cc(OC(N)=C(C2c(cccc3)c3F)C#N)c2cc1

InChI

InChI=1S/C20H20FN3O/c1-3-24(4-2)13-9-10-15-18(11-13)25-20(23)16(12-22)19(15)14-7-5-6-8-17(14)21/h5-11,19H,3-4,23H2,1-2H3/t19-/m1/s1

InChI Key

XUHSVJGIBFLLTJ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01100917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

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

3.872

Distribution Coefficient, logD

3.845

Water Solubility, LogSw

-4.20

Polar Surface Area

49.030

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8013-2171 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antimitotic Tubulin Library (17355 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8013-2171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2171?
Check Price and Availability of 8013-2171, 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 8013-2171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2171
  • 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 8013-2171 available by request