C161-0196 Screening compound: 4-hydroxy-2-(4-methylpiperidin-1-yl)-6-[4-(propan-2-yl)phenyl]pyrimidine-5-carbonitrile

C161-0196 Screening compound: 4-hydroxy-2-(4-methylpiperidin-1-yl)-6-[4-(propan-2-yl)phenyl]pyrimidine-5-carbonitrile
C161-0196 Screening compound: 4-hydroxy-2-(4-methylpiperidin-1-yl)-6-[4-(propan-2-yl)phenyl]pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C161-0196
4-hydroxy-2-(4-methylpiperidin-1-yl)-6-[4-(propan-2-yl)phenyl]pyrimidine-5-carbonitrile

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

C161-0196

Molecular Formula

C20H24N4O (C20 H24 N4 O)

Compound Name

4-hydroxy-2-(4-methylpiperidin-1-yl)-6-[4-(propan-2-yl)phenyl]pyrimidine-5-carbonitrile

IUPAC name

4-hydroxy-2-(4-methylpiperidin-1-yl)-6-[4-(propan-2-yl)phenyl]pyrimidine-5-carbonitrile

SMILES

CC(C)c(cc1)ccc1-c(nc(N1CCC(C)CC1)nc1O)c1C#N

InChI

InChI=1S/C20H24N4O/c1-13(2)15-4-6-16(7-5-15)18-17(12-21)19(25)23-20(22-18)24-10-8-14(3)9-11-24/h4-7,13-14H,8-11H2,1-3H3,(H,22,23,25)

InChI Key

NZQTVUCKTPYXIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.860

Distribution Coefficient, logD

1.483

Water Solubility, LogSw

-4.69

Polar Surface Area

55.705

Acid Dissociation Constant (pKa)

4.02

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C161-0196 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C161-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C161-0196?
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What is the minimum amount of C161-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C161-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C161-0196
  • 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 C161-0196 available by request