4111-0134 Screening compound: 2,7-diamino-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile

4111-0134 Screening compound: 2,7-diamino-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile
4111-0134 Screening compound: 2,7-diamino-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-0134
2,7-diamino-4-(pyridin-3-yl)-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

4111-0134

Molecular Formula

C15H12N4O (C15 H12 N4 O)

Compound Name

2,7-diamino-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile

IUPAC name

27-diamino-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile

SMILES

Nc1cc(OC(N)=C(C2c3cnccc3)C#N)c2cc1

InChI

InChI=1S/C15H12N4O/c16-7-12-14(9-2-1-5-19-8-9)11-4-3-10(17)6-13(11)20-15(12)18/h1-6,8,14H,17-18H2/t14-/m1/s1

InChI Key

RERQDENPVRSMPR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00486656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.744

Distribution Coefficient, logD

0.744

Water Solubility, LogSw

-0.99

Polar Surface Area

76.618

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

4111-0134 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4111-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-0134?
Check Price and Availability of 4111-0134, 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 4111-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-0134
  • 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 4111-0134 available by request