5983-1365 Screening compound: 2-amino-4-(5-bromo-2-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile

5983-1365 Screening compound: 2-amino-4-(5-bromo-2-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
5983-1365 Screening compound: 2-amino-4-(5-bromo-2-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5983-1365
2-amino-4-(5-bromo-2-methoxyphenyl)-7-hydroxy-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

5983-1365

Molecular Formula

C17H13BrN2O3 (C17 H13 BrN2 O3)

Compound Name

2-amino-4-(5-bromo-2-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-(5-bromo-2-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile

SMILES

COc(cc1)c(C2C(C#N)=C(N)Oc3c2ccc(O)c3)cc1Br

InChI

InChI=1S/C17H13BrN2O3/c1-22-14-5-2-9(18)6-12(14)16-11-4-3-10(21)7-15(11)23-17(20)13(16)8-19/h2-7,16,21H,20H2,1H3/t16-/m0/s1

InChI Key

NJWFZJUUHKNJCO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00977234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

3.244

Water Solubility, LogSw

-3.43

Polar Surface Area

71.541

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

5983-1365 in Drug Discovery

Included in Screening Libraries

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

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5983-1365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5983-1365?
Check Price and Availability of 5983-1365, 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 5983-1365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5983-1365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5983-1365
  • 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 5983-1365 available by request