P085-0517 Screening compound: N-tert-butyl-4-{6-cyclopropaneamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl}benzamide

P085-0517 Screening compound: N-tert-butyl-4-{6-cyclopropaneamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl}benzamide
P085-0517 Screening compound: N-tert-butyl-4-{6-cyclopropaneamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P085-0517
N-tert-butyl-4-{6-cyclopropaneamido-[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

P085-0517

Molecular Formula

C21H23N5O2 (C21 H23 N5 O2)

Compound Name

N-tert-butyl-4-{6-cyclopropaneamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl}benzamide

IUPAC name

N-tert-butyl-4-{6-cyclopropaneamido-[124]triazolo[43-a]pyridin-3-yl}benzamide

SMILES

CC(C)(C)NC(c(cc1)ccc1-c1nnc(cc2)n1cc2NC(C1CC1)=O)=O

InChI

InChI=1S/C21H23N5O2/c1-21(2,3)23-20(28)15-6-4-13(5-7-15)18-25-24-17-11-10-16(12-26(17)18)22-19(27)14-8-9-14/h4-7,10-12,14H,8-9H2,1-3H3,(H,22,27)(H,23,28)

InChI Key

RAIIKJHQGJMVED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.936

Distribution Coefficient, logD

2.936

Water Solubility, LogSw

-3.21

Polar Surface Area

68.593

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P085-0517 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 P085-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P085-0517?
Check Price and Availability of P085-0517, 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 P085-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P085-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P085-0517
  • 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 P085-0517 available by request