P930-1339 Screening compound: 3-{(2S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-2-yl}-5-phenyl-4H-1,2,4-triazole

P930-1339 Screening compound: 3-{(2S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-2-yl}-5-phenyl-4H-1,2,4-triazole
P930-1339 Screening compound: 3-{(2S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-2-yl}-5-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P930-1339
3-{(2S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-2-yl}-5-phenyl-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

P930-1339

Molecular Formula

C18H22N6 (C18 H22 N6)

Compound Name

3-{(2S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-2-yl}-5-phenyl-4H-1,2,4-triazole

IUPAC name

3-[(2S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-phenyl-4H-124-triazole

SMILES

CCn1ncc(CN(CCC2)[C@@H]2c2nnc(-c3ccccc3)[nH]2)c1

InChI

InChI=1S/C18H22N6/c1-2-24-13-14(11-19-24)12-23-10-6-9-16(23)18-20-17(21-22-18)15-7-4-3-5-8-15/h3-5,7-8,11,13,16H,2,6,9-10,12H2,1H3,(H,20,21,22)/t16-/m0/s1

InChI Key

MREUIFHPGQSZPK-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.582

Distribution Coefficient, logD

-0.831

Water Solubility, LogSw

-1.41

Polar Surface Area

52.212

Acid Dissociation Constant (pKa)

3.20

Base Dissociation Constant (pKb)

11.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

P930-1339 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 P930-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P930-1339?
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What is the minimum amount of P930-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P930-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P930-1339
  • 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 P930-1339 available by request