C191-0289 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)hexanamide

C191-0289 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)hexanamide
C191-0289 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0289
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)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

C191-0289

Molecular Formula

C24H27N3O7 (C24 H27 N3 O7)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)hexanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-(67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)hexanamide

SMILES

COc(c(OC)c1)cc(C(N2CCCCCC(NCc(cc3)cc4c3OCO4)=O)=O)c1NC2=O

InChI

InChI=1S/C24H27N3O7/c1-31-19-11-16-17(12-20(19)32-2)26-24(30)27(23(16)29)9-5-3-4-6-22(28)25-13-15-7-8-18-21(10-15)34-14-33-18/h7-8,10-12H,3-6,9,13-14H2,1-2H3,(H,25,28)(H,26,30)

InChI Key

VIWCAEBOJYERPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.486

Distribution Coefficient, logD

2.470

Water Solubility, LogSw

-3.12

Polar Surface Area

97.306

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C191-0289 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C191-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0289?
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What is the minimum amount of C191-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0289
  • 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 C191-0289 available by request