C190-0464 Screening compound: N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C190-0464 Screening compound: N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C190-0464 Screening compound: N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0464
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2,4-dioxo-3-pentyl-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

C190-0464

Molecular Formula

C27H35N5O4 (C27 H35 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCCN(C(c(ccc(C(NCCN(CC1)CCN1c(cc1)ccc1OC)=O)c1)c1N1)=O)C1=O

InChI

InChI=1S/C27H35N5O4/c1-3-4-5-13-32-26(34)23-11-6-20(19-24(23)29-27(32)35)25(33)28-12-14-30-15-17-31(18-16-30)21-7-9-22(36-2)10-8-21/h6-11,19H,3-5,12-18H2,1-2H3,(H,28,33)(H,29,35)

InChI Key

NKJUHSQWXITWMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-3.89

Polar Surface Area

79.772

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C190-0464 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C190-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0464?
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What is the minimum amount of C190-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0464
  • 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 C190-0464 available by request