J015-0208 Screening compound: propan-2-yl 4-[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-amido]benzoate

J015-0208 Screening compound: propan-2-yl 4-[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-amido]benzoate
J015-0208 Screening compound: propan-2-yl 4-[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J015-0208
propan-2-yl 4-[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-amido]benzoate

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

J015-0208

Molecular Formula

C18H16BrN5O3 (C18 H16 BrN5 O3)

Compound Name

propan-2-yl 4-[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-amido]benzoate

IUPAC name

propan-2-yl 4-[3-bromo-6-(4H-124-triazol-4-yl)pyridine-2-amido]benzoate

SMILES

CC(C)OC(c(cc1)ccc1NC(c(nc(cc1)-n2cnnc2)c1Br)=O)=O

InChI

InChI=1S/C18H16BrN5O3/c1-11(2)27-18(26)12-3-5-13(6-4-12)22-17(25)16-14(19)7-8-15(23-16)24-9-20-21-10-24/h3-11H,1-2H3,(H,22,25)

InChI Key

FHAJZIRWLOICLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27217830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

3.466

Water Solubility, LogSw

-3.74

Polar Surface Area

78.644

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

J015-0208 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J015-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J015-0208?
Check Price and Availability of J015-0208, 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 J015-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J015-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J015-0208
  • 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 J015-0208 available by request