C191-0312 Screening compound: 6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}hexanamide

C191-0312 Screening compound: 6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}hexanamide
C191-0312 Screening compound: 6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0312
6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}hexanamide

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

C191-0312

Molecular Formula

C29H38FN5O5 (C29 H38 FN5 O5)

Compound Name

6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}hexanamide

IUPAC name

6-(67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}hexanamide

SMILES

COc(c(OC)c1)cc(C(N2CCCCCC(NCCCN(CC3)CCN3c(cccc3)c3F)=O)=O)c1NC2=O

InChI

InChI=1S/C29H38FN5O5/c1-39-25-19-21-23(20-26(25)40-2)32-29(38)35(28(21)37)14-7-3-4-11-27(36)31-12-8-13-33-15-17-34(18-16-33)24-10-6-5-9-22(24)30/h5-6,9-10,19-20H,3-4,7-8,11-18H2,1-2H3,(H,31,36)(H,32,38)

InChI Key

LTTYUQFAYVPVDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.519

Distribution Coefficient, logD

2.187

Water Solubility, LogSw

-3.19

Polar Surface Area

86.974

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.30

C191-0312 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C191-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0312?
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What is the minimum amount of C191-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0312
  • 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 C191-0312 available by request