5983-1245 Screening compound: 2-amino-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile

5983-1245 Screening compound: 2-amino-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
5983-1245 Screening compound: 2-amino-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5983-1245
2-amino-4-(3-bromo-5-ethoxy-4-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

5983-1245

Molecular Formula

C19H17BrN2O4 (C19 H17 BrN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(C2C(C#N)=C(N)Oc3c2ccc(O)c3)cc(Br)c1OC

InChI

InChI=1S/C19H17BrN2O4/c1-3-25-16-7-10(6-14(20)18(16)24-2)17-12-5-4-11(23)8-15(12)26-19(22)13(17)9-21/h4-8,17,23H,3,22H2,1-2H3/t17-/m0/s1

InChI Key

BCRZIMJRBPUSJG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03998513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

3.130

Water Solubility, LogSw

-3.28

Polar Surface Area

78.838

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

5983-1245 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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 5983-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5983-1245?
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What is the minimum amount of 5983-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5983-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5983-1245
  • 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 5983-1245 available by request