C191-0208 Screening compound: 4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide

C191-0208 Screening compound: 4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide
C191-0208 Screening compound: 4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0208
4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide

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

C191-0208

Molecular Formula

C22H25N3O6 (C22 H25 N3 O6)

Compound Name

4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide

IUPAC name

4-[(67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide

SMILES

COCCCNC(c1ccc(CN(C(c(cc(c(OC)c2)OC)c2N2)=O)C2=O)cc1)=O

InChI

InChI=1S/C22H25N3O6/c1-29-10-4-9-23-20(26)15-7-5-14(6-8-15)13-25-21(27)16-11-18(30-2)19(31-3)12-17(16)24-22(25)28/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,23,26)(H,24,28)

InChI Key

XTVUPXXRVXOXHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.814

Distribution Coefficient, logD

1.809

Water Solubility, LogSw

-2.58

Polar Surface Area

88.610

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C191-0208 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C191-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0208?
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What is the minimum amount of C191-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0208
  • 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 C191-0208 available by request