C190-0088 Screening compound: N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C190-0088 Screening compound: N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C190-0088 Screening compound: N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0088
N-[2-(4-ethylpiperazin-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

C190-0088

Molecular Formula

C22H33N5O3 (C22 H33 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCCN(C(c(ccc(C(NCCN1CCN(CC)CC1)=O)c1)c1N1)=O)C1=O

InChI

InChI=1S/C22H33N5O3/c1-3-5-6-10-27-21(29)18-8-7-17(16-19(18)24-22(27)30)20(28)23-9-11-26-14-12-25(4-2)13-15-26/h7-8,16H,3-6,9-15H2,1-2H3,(H,23,28)(H,24,30)

InChI Key

CAJVSJBGMCFKGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

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

2.349

Distribution Coefficient, logD

1.556

Water Solubility, LogSw

-3.09

Polar Surface Area

72.504

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

C190-0088 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 C190-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0088?
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What is the minimum amount of C190-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0088
  • 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 C190-0088 available by request