J015-0062 Screening compound: N-{4-[5-(butan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide

J015-0062 Screening compound: N-{4-[5-(butan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
J015-0062 Screening compound: N-{4-[5-(butan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J015-0062
N-{4-[5-(butan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide

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

J015-0062

Molecular Formula

C25H22N6O2 (C25 H22 N6 O2)

Compound Name

N-{4-[5-(butan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide

IUPAC name

N-{4-[5-(butan-2-yl)-13-benzoxazol-2-yl]phenyl}-6-(4H-124-triazol-4-yl)pyridine-2-carboxamide

SMILES

CCC(C)c(cc1)cc2c1oc(-c(cc1)ccc1NC(c1nc(-n3cnnc3)ccc1)=O)n2

InChI

InChI=1S/C25H22N6O2/c1-3-16(2)18-9-12-22-21(13-18)30-25(33-22)17-7-10-19(11-8-17)28-24(32)20-5-4-6-23(29-20)31-14-26-27-15-31/h4-16H,3H2,1-2H3,(H,28,32)/t16-/m0/s1

InChI Key

IEODXBPMUYKTBB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15078200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.059

Distribution Coefficient, logD

5.059

Water Solubility, LogSw

-4.62

Polar Surface Area

74.251

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

J015-0062 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with J015-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J015-0062?
Check Price and Availability of J015-0062, 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 J015-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J015-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J015-0062
  • 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 J015-0062 available by request