C109-0532 Screening compound: N-(3-{[1,4'-bipiperidin]-1'-yl}propyl)-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0532 Screening compound: N-(3-{[1,4'-bipiperidin]-1'-yl}propyl)-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0532 Screening compound: N-(3-{[1,4'-bipiperidin]-1'-yl}propyl)-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0532
N-(3-{[1,4'-bipiperidin]-1'-yl}propyl)-3-(3,4-dichlorophenyl)-4-hydroxy-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

C109-0532

Molecular Formula

C28H35Cl2N5O3 (C28 H35 Cl2 N5 O3)

Compound Name

N-(3-{[1,4'-bipiperidin]-1'-yl}propyl)-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

N-(3-{[14'-bipiperidin]-1'-yl}propyl)-3-(34-dichlorophenyl)-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

OC(C(NCCCN(CC1)CCC1N1CCCCC1)=O)(c(cccc1)c1N1)N(c(cc2)cc(Cl)c2Cl)C1=O

InChI

InChI=1S/C28H35Cl2N5O3/c29-23-10-9-21(19-24(23)30)35-27(37)32-25-8-3-2-7-22(25)28(35,38)26(36)31-13-6-14-33-17-11-20(12-18-33)34-15-4-1-5-16-34/h2-3,7-10,19-20,38H,1,4-6,11-18H2,(H,31,36)(H,32,37)/t28-/m1/s1

InChI Key

YPJWLQPFPZALAO-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD14720187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

2.048

Water Solubility, LogSw

-4.24

Polar Surface Area

74.023

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C109-0532 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C109-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0532?
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What is the minimum amount of C109-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0532
  • 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 C109-0532 available by request