C191-0255 Screening compound: 3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

C191-0255 Screening compound: 3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
C191-0255 Screening compound: 3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0255
3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-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

C191-0255

Molecular Formula

C29H29ClN4O5 (C29 H29 ClN4 O5)

Compound Name

3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-67-dimethoxy-1234-tetrahydroquinazoline-24-dione

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(c1ccc(CN(C(c(cc(c(OC)c2)OC)c2N2)=O)C2=O)cc1)=O

InChI

InChI=1S/C29H29ClN4O5/c1-18-4-9-21(30)14-24(18)32-10-12-33(13-11-32)27(35)20-7-5-19(6-8-20)17-34-28(36)22-15-25(38-2)26(39-3)16-23(22)31-29(34)37/h4-9,14-16H,10-13,17H2,1-3H3,(H,31,37)

InChI Key

IRRMEODQCJZATP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.03

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

4.455

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.58

Polar Surface Area

75.349

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C191-0255 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C191-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0255?
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What is the minimum amount of C191-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0255
  • 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 C191-0255 available by request