S980-0194 Screening compound: 2-{2-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-imidazol-1-yl}propan-1-ol

S980-0194 Screening compound: 2-{2-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-imidazol-1-yl}propan-1-ol
S980-0194 Screening compound: 2-{2-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-imidazol-1-yl}propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S980-0194
2-{2-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-imidazol-1-yl}propan-1-ol

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

S980-0194

Molecular Formula

C18H27N5O2 (C18 H27 N5 O2)

Compound Name

2-{2-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-imidazol-1-yl}propan-1-ol

IUPAC name

(2R)-2-{2-[1-(13-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-imidazol-1-yl}propan-1-ol

SMILES

C[C@H](CO)n1c(C(CC2)CCN2C(c2cc(C)nn2C)=O)ncc1C

InChI

InChI=1S/C18H27N5O2/c1-12-9-16(21(4)20-12)18(25)22-7-5-15(6-8-22)17-19-10-13(2)23(17)14(3)11-24/h9-10,14-15,24H,5-8,11H2,1-4H3/t14-/m1/s1

InChI Key

XHAPNQNFEONJDP-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.403

Distribution Coefficient, logD

-0.840

Water Solubility, LogSw

-1.20

Polar Surface Area

59.169

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S980-0194 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 S980-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S980-0194?
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What is the minimum amount of S980-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S980-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S980-0194
  • 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 S980-0194 available by request