C191-0154 Screening compound: 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

C191-0154 Screening compound: 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
C191-0154 Screening compound: 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0154
3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-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

C191-0154

Molecular Formula

C26H31N3O5 (C26 H31 N3 O5)

Compound Name

3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-67-dimethoxy-1234-tetrahydroquinazoline-24-dione

SMILES

COc(c(OC)c1)cc(C(N2CCCC(N3CCC(Cc4ccccc4)CC3)=O)=O)c1NC2=O

InChI

InChI=1S/C26H31N3O5/c1-33-22-16-20-21(17-23(22)34-2)27-26(32)29(25(20)31)12-6-9-24(30)28-13-10-19(11-14-28)15-18-7-4-3-5-8-18/h3-5,7-8,16-17,19H,6,9-15H2,1-2H3,(H,27,32)

InChI Key

VUPHQZUYMSRVCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.65

Polar Surface Area

71.840

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C191-0154 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C191-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0154?
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What is the minimum amount of C191-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0154
  • 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 C191-0154 available by request