C190-0486 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C190-0486 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C190-0486 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0486
N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2-methoxyethyl)-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

C190-0486

Molecular Formula

C26H32N4O4 (C26 H32 N4 O4)

Compound Name

N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2-methoxyethyl)-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

COCCN(C(c(ccc(C(NCCN1CCC(Cc2ccccc2)CC1)=O)c1)c1N1)=O)C1=O

InChI

InChI=1S/C26H32N4O4/c1-34-16-15-30-25(32)22-8-7-21(18-23(22)28-26(30)33)24(31)27-11-14-29-12-9-20(10-13-29)17-19-5-3-2-4-6-19/h2-8,18,20H,9-17H2,1H3,(H,27,31)(H,28,33)

InChI Key

YUJQQVCRFXVIDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.139

Distribution Coefficient, logD

2.601

Water Solubility, LogSw

-3.55

Polar Surface Area

77.038

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C190-0486 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with C190-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0486?
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What is the minimum amount of C190-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0486
  • 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 C190-0486 available by request