SC97-0816 Screening compound: 2-(1H-1,3-benzimidazol-5-ylcarbonyl)-10-(3-fluorobenzyl)-2,6,10-triazaspiro[4.6]undecan-7-one

SC97-0816 Screening compound: 2-(1H-1,3-benzimidazol-5-ylcarbonyl)-10-(3-fluorobenzyl)-2,6,10-triazaspiro[4.6]undecan-7-one
SC97-0816 Screening compound: 2-(1H-1,3-benzimidazol-5-ylcarbonyl)-10-(3-fluorobenzyl)-2,6,10-triazaspiro[4.6]undecan-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SC97-0816
2-(1H-1,3-benzimidazol-5-ylcarbonyl)-10-(3-fluorobenzyl)-2,6,10-triazaspiro[4.6]undecan-7-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

SC97-0816

Molecular Formula

C23H24FN5O2 (C23 H24 FN5 O2)

Compound Name

2-(1H-1,3-benzimidazol-5-ylcarbonyl)-10-(3-fluorobenzyl)-2,6,10-triazaspiro[4.6]undecan-7-one

IUPAC name

2-(1H-13-benzodiazole-5-carbonyl)-10-[(3-fluorophenyl)methyl]-2610-triazaspiro[4.6]undecan-7-one

SMILES

O=C(c(cc1)cc2c1[nH]cn2)N(CC1)CC1(CN(Cc1cccc(F)c1)CC1)NC1=O

InChI

InChI=1S/C23H24FN5O2/c24-18-3-1-2-16(10-18)12-28-8-6-21(30)27-23(13-28)7-9-29(14-23)22(31)17-4-5-19-20(11-17)26-15-25-19/h1-5,10-11,15H,6-9,12-14H2,(H,25,26)(H,27,30)/t23-/m1/s1

InChI Key

RNNFZTHILQBEOS-HSZRJFAPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.291

Distribution Coefficient, logD

0.223

Water Solubility, LogSw

-2.07

Polar Surface Area

66.982

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

8.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

SC97-0816 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC97-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC97-0816?
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What is the minimum amount of SC97-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC97-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC97-0816
  • 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 SC97-0816 available by request