P085-1054 Screening compound: 4-{6-cyclobutaneamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-N-(pentan-3-yl)benzamide

P085-1054 Screening compound: 4-{6-cyclobutaneamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-N-(pentan-3-yl)benzamide
P085-1054 Screening compound: 4-{6-cyclobutaneamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-N-(pentan-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P085-1054
4-{6-cyclobutaneamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-N-(pentan-3-yl)benzamide

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

P085-1054

Molecular Formula

C23H27N5O2 (C23 H27 N5 O2)

Compound Name

4-{6-cyclobutaneamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-N-(pentan-3-yl)benzamide

IUPAC name

4-{6-cyclobutaneamido-[124]triazolo[43-a]pyridin-3-yl}-N-(pentan-3-yl)benzamide

SMILES

CCC(CC)NC(c(cc1)ccc1-c1nnc(cc2)n1cc2NC(C1CCC1)=O)=O

InChI

InChI=1S/C23H27N5O2/c1-3-18(4-2)24-23(30)17-10-8-15(9-11-17)21-27-26-20-13-12-19(14-28(20)21)25-22(29)16-6-5-7-16/h8-14,16,18H,3-7H2,1-2H3,(H,24,30)(H,25,29)

InChI Key

LUUOCISQSOFYEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.33

Polar Surface Area

69.678

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

P085-1054 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with P085-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P085-1054?
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What is the minimum amount of P085-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P085-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P085-1054
  • 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 P085-1054 available by request