CL9902-2662 Screening compound: 3-[(2S)-1-(2-methoxybenzyl)tetrahydro-1H-pyrrol-2-yl]-5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazole

CL9902-2662 Screening compound: 3-[(2S)-1-(2-methoxybenzyl)tetrahydro-1H-pyrrol-2-yl]-5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazole
CL9902-2662 Screening compound: 3-[(2S)-1-(2-methoxybenzyl)tetrahydro-1H-pyrrol-2-yl]-5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound CL9902-2662
3-[(2S)-1-(2-methoxybenzyl)tetrahydro-1H-pyrrol-2-yl]-5-tetrahydro-2H-pyran-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

CL9902-2662

Molecular Formula

C19H26N4O2 (C19 H26 N4 O2)

Compound Name

3-[(2S)-1-(2-methoxybenzyl)tetrahydro-1H-pyrrol-2-yl]-5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazole

IUPAC name

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

SMILES

COc1c(CN(CCC2)[C@@H]2c2nnc(C3CCOCC3)[nH]2)cccc1

InChI

InChI=1S/C19H26N4O2/c1-24-17-7-3-2-5-15(17)13-23-10-4-6-16(23)19-20-18(21-22-19)14-8-11-25-12-9-14/h2-3,5,7,14,16H,4,6,8-13H2,1H3,(H,20,21,22)/t16-/m0/s1

InChI Key

DXDUMJNBAMSUEK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30458185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.991

Distribution Coefficient, logD

1.081

Water Solubility, LogSw

-2.22

Polar Surface Area

53.441

Acid Dissociation Constant (pKa)

5.54

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.89

CL9902-2662 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 CL9902-2662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CL9902-2662?
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What is the minimum amount of CL9902-2662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CL9902-2662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CL9902-2662
  • 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 CL9902-2662 available by request