C109-0557 Screening compound: 3-(3,4-dichlorophenyl)-4-hydroxy-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0557 Screening compound: 3-(3,4-dichlorophenyl)-4-hydroxy-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0557 Screening compound: 3-(3,4-dichlorophenyl)-4-hydroxy-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0557
3-(3,4-dichlorophenyl)-4-hydroxy-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-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

C109-0557

Molecular Formula

C29H30Cl2N4O3 (C29 H30 Cl2 N4 O3)

Compound Name

3-(3,4-dichlorophenyl)-4-hydroxy-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

3-(34-dichlorophenyl)-4-hydroxy-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

Cc1ccc(CN2CCC(CNC(C(c(cccc3)c3N3)(N(c(cc4)cc(Cl)c4Cl)C3=O)O)=O)CC2)cc1

InChI

InChI=1S/C29H30Cl2N4O3/c1-19-6-8-21(9-7-19)18-34-14-12-20(13-15-34)17-32-27(36)29(38)23-4-2-3-5-26(23)33-28(37)35(29)22-10-11-24(30)25(31)16-22/h2-11,16,20,38H,12-15,17-18H2,1H3,(H,32,36)(H,33,37)/t29-/m1/s1

InChI Key

UFHSVHIHZKHPNC-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD14720189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.646

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-5.49

Polar Surface Area

70.838

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

C109-0557 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C109-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0557?
Check Price and Availability of C109-0557, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C109-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0557
  • 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 C109-0557 available by request