C190-0523 Screening compound: 3-[(4-methoxyphenyl)methyl]-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C190-0523 Screening compound: 3-[(4-methoxyphenyl)methyl]-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C190-0523 Screening compound: 3-[(4-methoxyphenyl)methyl]-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0523
3-[(4-methoxyphenyl)methyl]-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

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

C190-0523

Molecular Formula

C30H33N5O5 (C30 H33 N5 O5)

Compound Name

3-[(4-methoxyphenyl)methyl]-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

3-[(4-methoxyphenyl)methyl]-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

COc1ccc(CN(C(c(ccc(C(NCCN(CC2)CCN2c(cc2)ccc2OC)=O)c2)c2N2)=O)C2=O)cc1

InChI

InChI=1S/C30H33N5O5/c1-39-24-8-3-21(4-9-24)20-35-29(37)26-12-5-22(19-27(26)32-30(35)38)28(36)31-13-14-33-15-17-34(18-16-33)23-6-10-25(40-2)11-7-23/h3-12,19H,13-18,20H2,1-2H3,(H,31,36)(H,32,38)

InChI Key

IQAHGRAGIOCHMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.550

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.77

Polar Surface Area

87.066

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C190-0523 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C190-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0523?
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What is the minimum amount of C190-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0523
  • 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 C190-0523 available by request