C191-0246 Screening compound: 3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

C191-0246 Screening compound: 3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
C191-0246 Screening compound: 3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0246
3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-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

C191-0246

Molecular Formula

C29H30N4O5 (C29 H30 N4 O5)

Compound Name

3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-67-dimethoxy-1234-tetrahydroquinazoline-24-dione

SMILES

COc(c(OC)c1)cc(C(N2Cc(cc3)ccc3C(N3CCN(Cc4ccccc4)CC3)=O)=O)c1NC2=O

InChI

InChI=1S/C29H30N4O5/c1-37-25-16-23-24(17-26(25)38-2)30-29(36)33(28(23)35)19-21-8-10-22(11-9-21)27(34)32-14-12-31(13-15-32)18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,30,36)

InChI Key

SRVHXEDSRPRVTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-3.46

Polar Surface Area

75.930

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C191-0246 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C191-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0246?
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What is the minimum amount of C191-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0246
  • 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 C191-0246 available by request