C190-0416 Screening compound: 6-bromo-3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

C190-0416 Screening compound: 6-bromo-3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
C190-0416 Screening compound: 6-bromo-3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0416
6-bromo-3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

C190-0416

Molecular Formula

C23H25BrN4O4 (C23 H25 BrN4 O4)

Compound Name

6-bromo-3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

6-bromo-3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1234-tetrahydroquinazoline-24-dione

SMILES

COc(cccc1)c1N(CC1)CCN1C(CCCN(C(c(cc(cc1)Br)c1N1)=O)C1=O)=O

InChI

InChI=1S/C23H25BrN4O4/c1-32-20-6-3-2-5-19(20)26-11-13-27(14-12-26)21(29)7-4-10-28-22(30)17-15-16(24)8-9-18(17)25-23(28)31/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,25,31)

InChI Key

GWWDKTONQNYRBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.115

Water Solubility, LogSw

-3.56

Polar Surface Area

67.441

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C190-0416 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C190-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0416?
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What is the minimum amount of C190-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0416
  • 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 C190-0416 available by request