C190-0503 Screening compound: N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C190-0503 Screening compound: N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C190-0503 Screening compound: N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0503
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-3-(2-phenylethyl)-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

C190-0503

Molecular Formula

C30H33N5O4 (C30 H33 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N1CCN(CCNC(c(cc2)cc(NC(N3CCc4ccccc4)=O)c2C3=O)=O)CC1

InChI

InChI=1S/C30H33N5O4/c1-39-25-10-8-24(9-11-25)34-19-17-33(18-20-34)16-14-31-28(36)23-7-12-26-27(21-23)32-30(38)35(29(26)37)15-13-22-5-3-2-4-6-22/h2-12,21H,13-20H2,1H3,(H,31,36)(H,32,38)

InChI Key

RKIJYECUHXQWGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-4.00

Polar Surface Area

79.500

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C190-0503 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C190-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0503?
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What is the minimum amount of C190-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0503
  • 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 C190-0503 available by request