CL9902-2517 Screening compound: (3-methyl-1H-pyrazol-5-yl)[(2S)-2-(5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone

CL9902-2517 Screening compound: (3-methyl-1H-pyrazol-5-yl)[(2S)-2-(5-tetrahydro-2H-pyran-4-yl-4H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone
CL9902-2517 Screening compound: (3-methyl-1H-pyrazol-5-yl)[(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 CL9902-2517
(3-methyl-1H-pyrazol-5-yl)[(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

CL9902-2517

Molecular Formula

C16H22N6O2 (C16 H22 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c(C(N(CCC2)[C@@H]2c2nnc(C3CCOCC3)[nH]2)=O)c1

InChI

InChI=1S/C16H22N6O2/c1-10-9-12(19-18-10)16(23)22-6-2-3-13(22)15-17-14(20-21-15)11-4-7-24-8-5-11/h9,11,13H,2-8H2,1H3,(H,18,19)(H,17,20,21)/t13-/m0/s1

InChI Key

QOWQDLORENDCHS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD30459917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.375

Distribution Coefficient, logD

0.373

Water Solubility, LogSw

-1.30

Polar Surface Area

81.128

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

References: we are preparing a list of scientific research reports with CL9902-2517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CL9902-2517?
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What is the minimum amount of CL9902-2517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CL9902-2517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CL9902-2517
  • 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 CL9902-2517 available by request