8019-5164 Screening compound: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide

8019-5164 Screening compound: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide
8019-5164 Screening compound: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5164
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide

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

8019-5164

Molecular Formula

C22H17IN2O4 (C22 H17 IN2 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide

IUPAC name

N-[2-(34-dimethoxyphenyl)-13-benzoxazol-5-yl]-3-iodobenzamide

SMILES

COc(ccc(-c1nc(cc(cc2)NC(c3cccc(I)c3)=O)c2o1)c1)c1OC

InChI

InChI=1S/C22H17IN2O4/c1-27-19-8-6-14(11-20(19)28-2)22-25-17-12-16(7-9-18(17)29-22)24-21(26)13-4-3-5-15(23)10-13/h3-12H,1-2H3,(H,24,26)

InChI Key

NJDKUPHVJFULRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.202

Distribution Coefficient, logD

5.192

Water Solubility, LogSw

-5.17

Polar Surface Area

55.401

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8019-5164 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8019-5164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5164?
Check Price and Availability of 8019-5164, 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 8019-5164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5164
  • 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 8019-5164 available by request