C191-0101 Screening compound: N-BENZYL-4-(6,7-DIMETHOXY-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)BUTANAMIDE

C191-0101 Screening compound: N-BENZYL-4-(6,7-DIMETHOXY-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)BUTANAMIDE
C191-0101 Screening compound: N-BENZYL-4-(6,7-DIMETHOXY-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0101
N-BENZYL-4-(6,7-DIMETHOXY-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)BUTANAMIDE

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

C191-0101

Molecular Formula

C21H23N3O5 (C21 H23 N3 O5)

Compound Name

N-BENZYL-4-(6,7-DIMETHOXY-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)BUTANAMIDE

IUPAC name

n/a

SMILES

COc(c(OC)c1)cc(C(N2CCCC(NCc3ccccc3)=O)=O)c1NC2=O

InChI

InChI=1S/C21H23N3O5/c1-28-17-11-15-16(12-18(17)29-2)23-21(27)24(20(15)26)10-6-9-19(25)22-13-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,22,25)(H,23,27)

InChI Key

FGTFLKKVRHFFEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.563

Distribution Coefficient, logD

1.547

Water Solubility, LogSw

-2.43

Polar Surface Area

80.191

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C191-0101 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C191-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0101?
Check Price and Availability of C191-0101, 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 C191-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0101
  • 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 C191-0101 available by request