C191-0159 Screening compound: 6,7-dimethoxy-3-{4-oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

C191-0159 Screening compound: 6,7-dimethoxy-3-{4-oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
C191-0159 Screening compound: 6,7-dimethoxy-3-{4-oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0159
6,7-dimethoxy-3-{4-oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

C191-0159

Molecular Formula

C22H26N6O5 (C22 H26 N6 O5)

Compound Name

6,7-dimethoxy-3-{4-oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

67-dimethoxy-3-{4-oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-1234-tetrahydroquinazoline-24-dione

SMILES

COc(c(OC)c1)cc(C(N2CCCC(N(CC3)CCN3c3ncccn3)=O)=O)c1NC2=O

InChI

InChI=1S/C22H26N6O5/c1-32-17-13-15-16(14-18(17)33-2)25-22(31)28(20(15)30)8-3-5-19(29)26-9-11-27(12-10-26)21-23-6-4-7-24-21/h4,6-7,13-14H,3,5,8-12H2,1-2H3,(H,25,31)

InChI Key

FQDBPONFHHLDSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.068

Distribution Coefficient, logD

1.052

Water Solubility, LogSw

-2.22

Polar Surface Area

93.735

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with C191-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0159?
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What is the minimum amount of C191-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0159
  • 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 C191-0159 available by request