C191-0491 Screening compound: 3-(6,7-dimethoxy-1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]propanamide

C191-0491 Screening compound: 3-(6,7-dimethoxy-1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]propanamide
C191-0491 Screening compound: 3-(6,7-dimethoxy-1-{[(2-methoxyphenyl)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 C191-0491
3-(6,7-dimethoxy-1-{[(2-methoxyphenyl)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

C191-0491

Molecular Formula

C27H32N4O8 (C27 H32 N4 O8)

Compound Name

3-(6,7-dimethoxy-1-{[(2-methoxyphenyl)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-methoxyphenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]propanamide

SMILES

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

InChI

InChI=1S/C27H32N4O8/c1-36-21-9-5-4-8-19(21)29-25(33)16-31-20-14-23(38-3)22(37-2)13-18(20)26(34)30(27(31)35)11-10-24(32)28-15-17-7-6-12-39-17/h4-5,8-9,13-14,17H,6-7,10-12,15-16H2,1-3H3,(H,28,32)(H,29,33)/t17-/m1/s1

InChI Key

ANCPGEAHXCFPOW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14725155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.504

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-2.55

Polar Surface Area

109.714

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

C191-0491 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 C191-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0491?
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What is the minimum amount of C191-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0491
  • 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 C191-0491 available by request