8016-6716 Screening compound: N~3~-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-2-chloronicotinamide

8016-6716 Screening compound: N~3~-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-2-chloronicotinamide
8016-6716 Screening compound: N~3~-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-2-chloronicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6716
N~3~-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-2-chloronicotinamide

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

8016-6716

Molecular Formula

C18H10BrClN4O2 (C18 H10 BrClN4 O2)

Compound Name

N~3~-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-2-chloronicotinamide

IUPAC name

N-[2-(5-bromopyridin-3-yl)-13-benzoxazol-5-yl]-2-chloropyridine-3-carboxamide

SMILES

O=C(c(cccn1)c1Cl)Nc(cc1)cc2c1oc(-c1cc(Br)cnc1)n2

InChI

InChI=1S/C18H10BrClN4O2/c19-11-6-10(8-21-9-11)18-24-14-7-12(3-4-15(14)26-18)23-17(25)13-2-1-5-22-16(13)20/h1-9H,(H,23,25)

InChI Key

RKPGIXWXFSGHDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04074245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.26

Polar Surface Area

59.433

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8016-6716 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-6716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6716?
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What is the minimum amount of 8016-6716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6716
  • 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 8016-6716 available by request