C161-0071 Screening compound: 4-(4-isopropylphenyl)-6,8-dimethyl-2-(4-methylpiperidino)pyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidine

C161-0071 Screening compound: 4-(4-isopropylphenyl)-6,8-dimethyl-2-(4-methylpiperidino)pyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidine
C161-0071 Screening compound: 4-(4-isopropylphenyl)-6,8-dimethyl-2-(4-methylpiperidino)pyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C161-0071
4-(4-isopropylphenyl)-6,8-dimethyl-2-(4-methylpiperidino)pyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidine

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

C161-0071

Molecular Formula

C25H30N6 (C25 H30 N6)

Compound Name

4-(4-isopropylphenyl)-6,8-dimethyl-2-(4-methylpiperidino)pyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidine

IUPAC name

46-dimethyl-11-(4-methylpiperidin-1-yl)-13-[4-(propan-2-yl)phenyl]-3781012-pentaazatricyclo[7.4.0.0^{27}]trideca-13581012-hexaene

SMILES

CC(C)c(cc1)ccc1-c1nc(N2CCC(C)CC2)nc2nn3c(C)cc(C)nc3c12

InChI

InChI=1S/C25H30N6/c1-15(2)19-6-8-20(9-7-19)22-21-23(29-31-18(5)14-17(4)26-24(21)31)28-25(27-22)30-12-10-16(3)11-13-30/h6-9,14-16H,10-13H2,1-5H3

InChI Key

HBNGKPWGEJYYAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.928

Distribution Coefficient, logD

5.928

Water Solubility, LogSw

-6.02

Polar Surface Area

42.483

Acid Dissociation Constant (pKa)

19.74

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C161-0071 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C161-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C161-0071?
Check Price and Availability of C161-0071, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C161-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C161-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C161-0071
  • 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 C161-0071 available by request