8015-8813 Screening compound: N~1~-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-4-methoxybenzamide

8015-8813 Screening compound: N~1~-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-4-methoxybenzamide
8015-8813 Screening compound: N~1~-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8813
N~1~-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-4-methoxybenzamide

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

8015-8813

Molecular Formula

C20H12BrCl2N3O3 (C20 H12 BrCl2 N3 O3)

Compound Name

N~1~-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-4-methoxybenzamide

IUPAC name

N-[2-(5-bromopyridin-3-yl)-13-benzoxazol-5-yl]-35-dichloro-4-methoxybenzamide

SMILES

COc(c(Cl)cc(C(Nc(cc1)cc2c1oc(-c1cc(Br)cnc1)n2)=O)c1)c1Cl

InChI

InChI=1S/C20H12BrCl2N3O3/c1-28-18-14(22)5-10(6-15(18)23)19(27)25-13-2-3-17-16(7-13)26-20(29-17)11-4-12(21)9-24-8-11/h2-9H,1H3,(H,25,27)

InChI Key

KZIPLIMZGQBTPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04078535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.14

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.668

Distribution Coefficient, logD

5.632

Water Solubility, LogSw

-6.07

Polar Surface Area

57.464

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 8015-8813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8813?
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What is the minimum amount of 8015-8813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8813
  • 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 8015-8813 available by request