CL9902-2660 Screening compound: 3-{1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole

CL9902-2660 Screening compound: 3-{1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole
CL9902-2660 Screening compound: 3-{1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound CL9902-2660
3-{1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole

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

CL9902-2660

Molecular Formula

C20H28N4O (C20 H28 N4 O)

Compound Name

3-{1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole

IUPAC name

3-[(2S)-1-[(24-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-(oxan-4-yl)-4H-124-triazole

SMILES

Cc1cc(C)c(CN(CCC2)[C@@H]2c2nnc(C3CCOCC3)[nH]2)cc1

InChI

InChI=1S/C20H28N4O/c1-14-5-6-17(15(2)12-14)13-24-9-3-4-18(24)20-21-19(22-23-20)16-7-10-25-11-8-16/h5-6,12,16,18H,3-4,7-11,13H2,1-2H3,(H,21,22,23)/t18-/m0/s1

InChI Key

AXJQZPCVTRWXKB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30458184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

1.764

Water Solubility, LogSw

-2.89

Polar Surface Area

45.811

Acid Dissociation Constant (pKa)

5.54

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

CL9902-2660 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with CL9902-2660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CL9902-2660?
Check Price and Availability of CL9902-2660, 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 CL9902-2660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CL9902-2660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CL9902-2660
  • 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 CL9902-2660 available by request