C190-0332 Screening compound: 7-(4-benzylpiperidine-1-carbonyl)-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

C190-0332 Screening compound: 7-(4-benzylpiperidine-1-carbonyl)-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
C190-0332 Screening compound: 7-(4-benzylpiperidine-1-carbonyl)-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0332
7-(4-benzylpiperidine-1-carbonyl)-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

C190-0332

Molecular Formula

C29H29N3O3 (C29 H29 N3 O3)

Compound Name

7-(4-benzylpiperidine-1-carbonyl)-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

7-(4-benzylpiperidine-1-carbonyl)-3-(2-phenylethyl)-1234-tetrahydroquinazoline-24-dione

SMILES

O=C(c(cc1)cc(NC(N2CCc3ccccc3)=O)c1C2=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C29H29N3O3/c33-27(31-16-13-23(14-17-31)19-22-9-5-2-6-10-22)24-11-12-25-26(20-24)30-29(35)32(28(25)34)18-15-21-7-3-1-4-8-21/h1-12,20,23H,13-19H2,(H,30,35)

InChI Key

FXQUADWCOSUVTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

5.110

Water Solubility, LogSw

-5.40

Polar Surface Area

56.835

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C190-0332 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C190-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0332?
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What is the minimum amount of C190-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0332
  • 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 C190-0332 available by request