L676-2505F Screening compound: N-cyclopentyl-N-{9-[(3,5-dimethylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-yl}amine

L676-2505F Screening compound: N-cyclopentyl-N-{9-[(3,5-dimethylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-yl}amine
L676-2505F Screening compound: N-cyclopentyl-N-{9-[(3,5-dimethylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-yl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound L676-2505F
N-cyclopentyl-N-{9-[(3,5-dimethylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-yl}amine

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

L676-2505F

Molecular Formula

C21H32N4O2S (C21 H32 N4 O2 S)

Compound Name

N-cyclopentyl-N-{9-[(3,5-dimethylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-yl}amine

IUPAC name

N-cyclopentyl-9-(35-dimethylbenzenesulfonyl)-149-triazaspiro[5.5]undec-4-en-5-amine

SMILES

Cc1cc(S(N(CC2)CCC22NCCN=C2NC2CCCC2)(=O)=O)cc(C)c1

InChI

InChI=1S/C21H32N4O2S/c1-16-13-17(2)15-19(14-16)28(26,27)25-11-7-21(8-12-25)20(22-9-10-23-21)24-18-5-3-4-6-18/h13-15,18,23H,3-12H2,1-2H3,(H,22,24)

InChI Key

KTRKMYJNNRDHGT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.451

Distribution Coefficient, logD

1.214

Water Solubility, LogSw

-3.81

Polar Surface Area

64.457

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

References: we are preparing a list of scientific research reports with L676-2505F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L676-2505F?
Check Price and Availability of L676-2505F, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L676-2505F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L676-2505F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L676-2505F
  • 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 L676-2505F available by request