8512-0106 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]pyridine-3-carboxamide

8512-0106 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]pyridine-3-carboxamide
8512-0106 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8512-0106
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]pyridine-3-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

8512-0106

Molecular Formula

C20H14ClN3O3 (C20 H14 ClN3 O3)

Compound Name

N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]pyridine-3-carboxamide

IUPAC name

N-[3-(5-chloro-13-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]pyridine-3-carboxamide

SMILES

Cc1cc(NC(c2cnccc2)=O)cc(-c2nc(cc(cc3)Cl)c3o2)c1O

InChI

InChI=1S/C20H14ClN3O3/c1-11-7-14(23-19(26)12-3-2-6-22-10-12)9-15(18(11)25)20-24-16-8-13(21)4-5-17(16)27-20/h2-10,25H,1H3,(H,23,26)

InChI Key

ZGMUDXMBAYBPQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07403069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.232

Distribution Coefficient, logD

4.232

Water Solubility, LogSw

-4.48

Polar Surface Area

65.137

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

8512-0106 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8512-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8512-0106?
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What is the minimum amount of 8512-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8512-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8512-0106
  • 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 8512-0106 available by request