SB25-0452 Screening compound: 7-(2,3-dihydro-1H-indol-1-ylcarbonyl)-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one

SB25-0452 Screening compound: 7-(2,3-dihydro-1H-indol-1-ylcarbonyl)-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
SB25-0452 Screening compound: 7-(2,3-dihydro-1H-indol-1-ylcarbonyl)-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB25-0452
7-(2,3-dihydro-1H-indol-1-ylcarbonyl)-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-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

SB25-0452

Molecular Formula

C24H23N3O2 (C24 H23 N3 O2)

Compound Name

7-(2,3-dihydro-1H-indol-1-ylcarbonyl)-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one

IUPAC name

7-(23-dihydro-1H-indole-1-carbonyl)-2-phenyl-3H4H5H6H7H8H9H-cyclohepta[d]pyrimidin-4-one

SMILES

O=C(C(CC1)CCC(N=C(c2ccccc2)N2)=C1C2=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C24H23N3O2/c28-23-19-12-10-18(24(29)27-15-14-16-6-4-5-9-21(16)27)11-13-20(19)25-22(26-23)17-7-2-1-3-8-17/h1-9,18H,10-15H2,(H,25,26,28)/t18-/m1/s1

InChI Key

WVDZVXXJQDQBFJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32246823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.35

Polar Surface Area

50.872

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.17

SB25-0452 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB25-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB25-0452?
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What is the minimum amount of SB25-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB25-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB25-0452
  • 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 SB25-0452 available by request