7913-0057 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-one

7913-0057 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-one
7913-0057 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7913-0057
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-one

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

7913-0057

Molecular Formula

C29H32N4O3 (C29 H32 N4 O3)

Compound Name

2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[4-(propan-2-yl)phenyl]-5678-tetrahydroquinazolin-5-one

SMILES

CC(C)c1ccc(C(Cc2c3cnc(N4CCN(Cc(cc5)cc6c5OCO6)CC4)n2)CC3=O)cc1

InChI

InChI=1S/C29H32N4O3/c1-19(2)21-4-6-22(7-5-21)23-14-25-24(26(34)15-23)16-30-29(31-25)33-11-9-32(10-12-33)17-20-3-8-27-28(13-20)36-18-35-27/h3-8,13,16,19,23H,9-12,14-15,17-18H2,1-2H3/t23-/m1/s1

InChI Key

LSMLFWDJPPVJEU-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06612002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.183

Distribution Coefficient, logD

4.457

Water Solubility, LogSw

-4.90

Polar Surface Area

56.764

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with 7913-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7913-0057?
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What is the minimum amount of 7913-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7913-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7913-0057
  • 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 7913-0057 available by request