C908-0552 Screening compound: 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)propanamide

C908-0552 Screening compound: 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)propanamide
C908-0552 Screening compound: 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0552
3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)propanamide

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

C908-0552

Molecular Formula

C24H32FN7O (C24 H32 FN7 O)

Compound Name

3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)propanamide

IUPAC name

3-[2-(aminomethyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)propanamide

SMILES

Cc1c(CCC(NCC2CCN(Cc(cc3)ccc3F)CC2)=O)c(C)nc2nc(CN)nn12

InChI

InChI=1S/C24H32FN7O/c1-16-21(17(2)32-24(28-16)29-22(13-26)30-32)7-8-23(33)27-14-18-9-11-31(12-10-18)15-19-3-5-20(25)6-4-19/h3-6,18H,7-15,26H2,1-2H3,(H,27,33)

InChI Key

CLQUERFNCOVORN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807871

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.667

Distribution Coefficient, logD

-1.122

Water Solubility, LogSw

-1.92

Polar Surface Area

81.959

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C908-0552 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C908-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0552?
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What is the minimum amount of C908-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0552
  • 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 C908-0552 available by request