C191-0068 Screening compound: 6,7-dimethoxy-3-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

C191-0068 Screening compound: 6,7-dimethoxy-3-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
C191-0068 Screening compound: 6,7-dimethoxy-3-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0068
6,7-dimethoxy-3-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}-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

C191-0068

Molecular Formula

C21H24N6O5 (C21 H24 N6 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(c(OC)c1)cc(C(N2CCC(N(CC3)CCN3c3ncccn3)=O)=O)c1NC2=O

InChI

InChI=1S/C21H24N6O5/c1-31-16-12-14-15(13-17(16)32-2)24-21(30)27(19(14)29)7-4-18(28)25-8-10-26(11-9-25)20-22-5-3-6-23-20/h3,5-6,12-13H,4,7-11H2,1-2H3,(H,24,30)

InChI Key

JKFXBKVBKJPVTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.062

Distribution Coefficient, logD

1.042

Water Solubility, LogSw

-2.27

Polar Surface Area

93.735

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C191-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0068?
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What is the minimum amount of C191-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0068
  • 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 C191-0068 available by request