C191-0406 Screening compound: 3-(6,7-dimethoxy-1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-methoxyethyl)propanamide

C191-0406 Screening compound: 3-(6,7-dimethoxy-1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-methoxyethyl)propanamide
C191-0406 Screening compound: 3-(6,7-dimethoxy-1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-methoxyethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0406
3-(6,7-dimethoxy-1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-methoxyethyl)propanamide

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

C191-0406

Molecular Formula

C25H30N4O8 (C25 H30 N4 O8)

Compound Name

3-(6,7-dimethoxy-1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-methoxyethyl)propanamide

IUPAC name

3-(67-dimethoxy-1-{[(2-methoxyphenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-(2-methoxyethyl)propanamide

SMILES

COCCNC(CCN(C(c(cc(c(OC)c1)OC)c1N1CC(Nc(cccc2)c2OC)=O)=O)C1=O)=O

InChI

InChI=1S/C25H30N4O8/c1-34-12-10-26-22(30)9-11-28-24(32)16-13-20(36-3)21(37-4)14-18(16)29(25(28)33)15-23(31)27-17-7-5-6-8-19(17)35-2/h5-8,13-14H,9-12,15H2,1-4H3,(H,26,30)(H,27,31)

InChI Key

ROUGSTXBLKOVIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.383

Distribution Coefficient, logD

1.383

Water Solubility, LogSw

-2.47

Polar Surface Area

109.515

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C191-0406 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C191-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0406?
Check Price and Availability of C191-0406, 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 C191-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0406
  • 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 C191-0406 available by request