P085-1096 Screening compound: N~1~-allyl-4-{6-[(cyclobutylcarbonyl)amino][1,2,4]triazolo[4,3-a]pyridin-3-yl}benzamide

P085-1096 Screening compound: N~1~-allyl-4-{6-[(cyclobutylcarbonyl)amino][1,2,4]triazolo[4,3-a]pyridin-3-yl}benzamide
P085-1096 Screening compound: N~1~-allyl-4-{6-[(cyclobutylcarbonyl)amino][1,2,4]triazolo[4,3-a]pyridin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P085-1096
N~1~-allyl-4-{6-[(cyclobutylcarbonyl)amino][1,2,4]triazolo[4,3-a]pyridin-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

P085-1096

Molecular Formula

C21H21N5O2 (C21 H21 N5 O2)

Compound Name

N~1~-allyl-4-{6-[(cyclobutylcarbonyl)amino][1,2,4]triazolo[4,3-a]pyridin-3-yl}benzamide

IUPAC name

4-{6-cyclobutaneamido-[124]triazolo[43-a]pyridin-3-yl}-N-(prop-2-en-1-yl)benzamide

SMILES

C=CCNC(c(cc1)ccc1-c1nnc(cc2)n1cc2NC(C1CCC1)=O)=O

InChI

InChI=1S/C21H21N5O2/c1-2-12-22-20(27)16-8-6-14(7-9-16)19-25-24-18-11-10-17(13-26(18)19)23-21(28)15-4-3-5-15/h2,6-11,13,15H,1,3-5,12H2,(H,22,27)(H,23,28)

InChI Key

GJSMKVCMTXHTGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.443

Distribution Coefficient, logD

1.443

Water Solubility, LogSw

-1.97

Polar Surface Area

69.611

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with P085-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P085-1096?
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What is the minimum amount of P085-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P085-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P085-1096
  • 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 P085-1096 available by request