S733-0648 Screening compound: 9-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-5-(3-pyridylmethyl)-1,5-diazacycloundecan-2-one

S733-0648 Screening compound: 9-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-5-(3-pyridylmethyl)-1,5-diazacycloundecan-2-one
S733-0648 Screening compound: 9-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-5-(3-pyridylmethyl)-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S733-0648
9-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-5-(3-pyridylmethyl)-1,5-diazacycloundecan-2-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

S733-0648

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

9-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-5-(3-pyridylmethyl)-1,5-diazacycloundecan-2-one

IUPAC name

n/a

SMILES

O=C(C(CCCN(Cc1cnccc1)CC1)CCNC1=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C25H32N4O2/c30-24-11-15-28(18-20-5-3-12-26-17-20)14-4-8-22(9-13-27-24)25(31)29-16-10-21-6-1-2-7-23(21)19-29/h1-3,5-7,12,17,22H,4,8-11,13-16,18-19H2,(H,27,30)/t22-/m0/s1

InChI Key

YTYOKJYVJWNLEY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD30461033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.127

Distribution Coefficient, logD

0.969

Water Solubility, LogSw

-1.40

Polar Surface Area

55.154

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

S733-0648 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S733-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S733-0648?
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What is the minimum amount of S733-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S733-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S733-0648
  • 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 S733-0648 available by request