5983-1387 Screening compound: 2-amino-4-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]-7-hydroxy-4H-chromene-3-carbonitrile

5983-1387 Screening compound: 2-amino-4-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]-7-hydroxy-4H-chromene-3-carbonitrile
5983-1387 Screening compound: 2-amino-4-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]-7-hydroxy-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5983-1387
2-amino-4-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]-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

5983-1387

Molecular Formula

C19H13BrN2O3 (C19 H13 BrN2 O3)

Compound Name

2-amino-4-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]-7-hydroxy-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]-7-hydroxy-4H-chromene-3-carbonitrile

SMILES

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

InChI

InChI=1S/C19H13BrN2O3/c1-2-7-24-16-6-3-11(20)8-14(16)18-13-5-4-12(23)9-17(13)25-19(22)15(18)10-21/h1,3-6,8-9,18,23H,7,22H2/t18-/m0/s1

InChI Key

TXLCBQLZWRLHPK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03998509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.515

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.70

Polar Surface Area

71.415

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

5983-1387 in Drug Discovery

Included in Screening Libraries

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

Antimitotic Tubulin Library (17355 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments
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 5983-1387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5983-1387?
Check Price and Availability of 5983-1387, 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 5983-1387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5983-1387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5983-1387
  • 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 5983-1387 available by request