CL9902-3079 Screening compound: (5-methyl-3-pyridyl)[(2S)-2-(5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone

CL9902-3079 Screening compound: (5-methyl-3-pyridyl)[(2S)-2-(5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone
CL9902-3079 Screening compound: (5-methyl-3-pyridyl)[(2S)-2-(5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CL9902-3079
(5-methyl-3-pyridyl)[(2S)-2-(5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone

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

CL9902-3079

Molecular Formula

C18H23N5O2 (C18 H23 N5 O2)

Compound Name

(5-methyl-3-pyridyl)[(2S)-2-(5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone

IUPAC name

3-methyl-5-[(2S)-2-[5-(oxan-4-yl)-4H-124-triazol-3-yl]pyrrolidine-1-carbonyl]pyridine

SMILES

Cc1cc(C(N(CCC2)[C@@H]2c2nnc(C3CCOCC3)[nH]2)=O)cnc1

InChI

InChI=1S/C18H23N5O2/c1-12-9-14(11-19-10-12)18(24)23-6-2-3-15(23)17-20-16(21-22-17)13-4-7-25-8-5-13/h9-11,13,15H,2-8H2,1H3,(H,20,21,22)/t15-/m0/s1

InChI Key

PSXGABAPPAJTMA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30458193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.718

Distribution Coefficient, logD

0.715

Water Solubility, LogSw

-1.23

Polar Surface Area

68.168

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with CL9902-3079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CL9902-3079?
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What is the minimum amount of CL9902-3079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CL9902-3079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CL9902-3079
  • 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 CL9902-3079 available by request