C191-0328 Screening compound: 3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

C191-0328 Screening compound: 3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
C191-0328 Screening compound: 3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0328
3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6,7-dimethoxy-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

C191-0328

Molecular Formula

C26H31ClN4O5 (C26 H31 ClN4 O5)

Compound Name

3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-67-dimethoxy-1234-tetrahydroquinazoline-24-dione

SMILES

COc(c(OC)c1)cc(C(N2CCCCCC(N(CC3)CCN3c3cccc(Cl)c3)=O)=O)c1NC2=O

InChI

InChI=1S/C26H31ClN4O5/c1-35-22-16-20-21(17-23(22)36-2)28-26(34)31(25(20)33)10-5-3-4-9-24(32)30-13-11-29(12-14-30)19-8-6-7-18(27)15-19/h6-8,15-17H,3-5,9-14H2,1-2H3,(H,28,34)

InChI Key

BKKKZOCUVROKPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.497

Distribution Coefficient, logD

3.481

Water Solubility, LogSw

-3.81

Polar Surface Area

75.372

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with C191-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0328?
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What is the minimum amount of C191-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0328
  • 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 C191-0328 available by request