C191-0432 Screening compound: 3-(6,7-dimethoxy-1-{[(2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]propanamide

C191-0432 Screening compound: 3-(6,7-dimethoxy-1-{[(2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]propanamide
C191-0432 Screening compound: 3-(6,7-dimethoxy-1-{[(2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0432
3-(6,7-dimethoxy-1-{[(2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]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

C191-0432

Molecular Formula

C27H32N4O7 (C27 H32 N4 O7)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(CN(c(cc(c(OC)c1)OC)c1C(N1CCC(NCC2OCCC2)=O)=O)C1=O)=O

InChI

InChI=1S/C27H32N4O7/c1-17-7-4-5-9-20(17)29-25(33)16-31-21-14-23(37-3)22(36-2)13-19(21)26(34)30(27(31)35)11-10-24(32)28-15-18-8-6-12-38-18/h4-5,7,9,13-14,18H,6,8,10-12,15-16H2,1-3H3,(H,28,32)(H,29,33)/t18-/m1/s1

InChI Key

DWPHWPXCZNOBNL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14725125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.546

Distribution Coefficient, logD

1.546

Water Solubility, LogSw

-2.58

Polar Surface Area

102.083

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

C191-0432 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C191-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0432?
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What is the minimum amount of C191-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0432
  • 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 C191-0432 available by request