3031-2882 Screening compound: 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

3031-2882 Screening compound: 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
3031-2882 Screening compound: 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3031-2882
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

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

3031-2882

Molecular Formula

C22H17IN2O4 (C22 H17 IN2 O4)

Compound Name

2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

IUPAC name

2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-13-benzoxazol-5-yl]acetamide

SMILES

COc(cc1)ccc1-c1nc(cc(cc2)NC(COc(cc3)ccc3I)=O)c2o1

InChI

InChI=1S/C22H17IN2O4/c1-27-17-7-2-14(3-8-17)22-25-19-12-16(6-11-20(19)29-22)24-21(26)13-28-18-9-4-15(23)5-10-18/h2-12H,13H2,1H3,(H,24,26)

InChI Key

ZNCLXLWHCQOTTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085640

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

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.774

Distribution Coefficient, logD

5.774

Water Solubility, LogSw

-5.51

Polar Surface Area

54.969

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3031-2882 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3031-2882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3031-2882?
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What is the minimum amount of 3031-2882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3031-2882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3031-2882
  • 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 3031-2882 available by request