C908-0539 Screening compound: tert-butyl N-[(6-{2-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]ethyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate

C908-0539 Screening compound: tert-butyl N-[(6-{2-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]ethyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
C908-0539 Screening compound: tert-butyl N-[(6-{2-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]ethyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0539
tert-butyl N-[(6-{2-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]ethyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate

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

C908-0539

Molecular Formula

C31H45N7O3 (C31 H45 N7 O3)

Compound Name

tert-butyl N-[(6-{2-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]ethyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate

IUPAC name

tert-butyl N-[(6-{2-[({1-[(25-dimethylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]ethyl}-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl)methyl]carbamate

SMILES

CC(C)(C)OC(NCc1nn2c(C)c(CCC(NCC3CCN(Cc4c(C)ccc(C)c4)CC3)=O)c(C)nc2n1)=O

InChI

InChI=1S/C31H45N7O3/c1-20-8-9-21(2)25(16-20)19-37-14-12-24(13-15-37)17-32-28(39)11-10-26-22(3)34-29-35-27(36-38(29)23(26)4)18-33-30(40)41-31(5,6)7/h8-9,16,24H,10-15,17-19H2,1-7H3,(H,32,39)(H,33,40)

InChI Key

HDKSKDYBNKVHJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.74

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

2.124

Water Solubility, LogSw

-4.28

Polar Surface Area

92.174

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.10

C908-0539 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 C908-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0539?
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What is the minimum amount of C908-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0539
  • 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 C908-0539 available by request