6197-5064 Screening compound: (4E)-6-bromo-2-(4-methoxyphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-4H-chromen-4-imine

6197-5064 Screening compound: (4E)-6-bromo-2-(4-methoxyphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-4H-chromen-4-imine
6197-5064 Screening compound: (4E)-6-bromo-2-(4-methoxyphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-4H-chromen-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-5064
(4E)-6-bromo-2-(4-methoxyphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-4H-chromen-4-imine

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

6197-5064

Molecular Formula

C26H23BrN2O2 (C26 H23 BrN2 O2)

Compound Name

(4E)-6-bromo-2-(4-methoxyphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-4H-chromen-4-imine

IUPAC name

(4E)-6-bromo-2-(4-methoxyphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-4H-chromen-4-imine

SMILES

COc(cc1)ccc1C(Oc(cc1)c2cc1Br)=C/C2=N\c(cc1)ccc1N1CCCC1

InChI

InChI=1S/C26H23BrN2O2/c1-30-22-11-4-18(5-12-22)26-17-24(23-16-19(27)6-13-25(23)31-26)28-20-7-9-21(10-8-20)29-14-2-3-15-29/h4-13,16-17H,2-3,14-15H2,1H3

InChI Key

BNSOJWFIMZHOKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08052487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.220

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-5.80

Polar Surface Area

27.370

Acid Dissociation Constant (pKa)

27.06

Base Dissociation Constant (pKb)

11.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

6197-5064 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6197-5064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5064?
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What is the minimum amount of 6197-5064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5064
  • 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 6197-5064 available by request