6737-1164 Screening compound: 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one

6737-1164 Screening compound: 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one
6737-1164 Screening compound: 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6737-1164
3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-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

6737-1164

Molecular Formula

C22H23BrN2O3 (C22 H23 BrN2 O3)

Compound Name

3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one

IUPAC name

3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one

SMILES

CC(Oc1c2ccc(O)c1CN1CCN(C)CC1)=C(c(cc1)ccc1Br)C2=O

InChI

InChI=1S/C22H23BrN2O3/c1-14-20(15-3-5-16(23)6-4-15)21(27)17-7-8-19(26)18(22(17)28-14)13-25-11-9-24(2)10-12-25/h3-8,26H,9-13H2,1-2H3

InChI Key

XRIOEGQCFIVNOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03672498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.733

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-3.73

Polar Surface Area

43.767

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 6737-1164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6737-1164?
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What is the minimum amount of 6737-1164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6737-1164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6737-1164
  • 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 6737-1164 available by request