4300-0181 Screening compound: 3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

4300-0181 Screening compound: 3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
4300-0181 Screening compound: 3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0181
3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

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

4300-0181

Molecular Formula

C21H19BrF3NO4 (C21 H19 BrF3 NO4)

Compound Name

3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CCN(CC)Cc(c(OC(C(F)(F)F)=C1Oc(cccc2)c2Br)c(cc2)C1=O)c2O

InChI

InChI=1S/C21H19BrF3NO4/c1-3-26(4-2)11-13-15(27)10-9-12-17(28)19(20(21(23,24)25)30-18(12)13)29-16-8-6-5-7-14(16)22/h5-10,27H,3-4,11H2,1-2H3

InChI Key

UJIICRYFZKRMMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02071896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.108

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.79

Polar Surface Area

47.367

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4300-0181 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4300-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0181?
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What is the minimum amount of 4300-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0181
  • 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 4300-0181 available by request