C191-0073 Screening compound: 3-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

C191-0073 Screening compound: 3-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
C191-0073 Screening compound: 3-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0073
3-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6,7-dimethoxy-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

C191-0073

Molecular Formula

C24H27ClN4O5 (C24 H27 ClN4 O5)

Compound Name

3-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-67-dimethoxy-1234-tetrahydroquinazoline-24-dione

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(CCN(C(c(cc(c(OC)c1)OC)c1N1)=O)C1=O)=O

InChI

InChI=1S/C24H27ClN4O5/c1-15-4-5-16(25)12-19(15)27-8-10-28(11-9-27)22(30)6-7-29-23(31)17-13-20(33-2)21(34-3)14-18(17)26-24(29)32/h4-5,12-14H,6-11H2,1-3H3,(H,26,32)

InChI Key

JNFKVZRHCFFHIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.180

Distribution Coefficient, logD

3.160

Water Solubility, LogSw

-3.58

Polar Surface Area

75.071

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C191-0073 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C191-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0073?
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What is the minimum amount of C191-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0073
  • 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 C191-0073 available by request