1812-0738 Screening compound: 5-bromo-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide

1812-0738 Screening compound: 5-bromo-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide
1812-0738 Screening compound: 5-bromo-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1812-0738
5-bromo-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-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

1812-0738

Molecular Formula

C20H11BrFIN2O2 (C20 H11 BrFIN2 O2)

Compound Name

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

IUPAC name

5-bromo-N-[2-(4-fluorophenyl)-13-benzoxazol-5-yl]-2-iodobenzamide

SMILES

O=C(c(cc(cc1)Br)c1I)Nc(cc1)cc2c1oc(-c(cc1)ccc1F)n2

InChI

InChI=1S/C20H11BrFIN2O2/c21-12-3-7-16(23)15(9-12)19(26)24-14-6-8-18-17(10-14)25-20(27-18)11-1-4-13(22)5-2-11/h1-10H,(H,24,26)

InChI Key

RWMKJWMJOUXOLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00852410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.13

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.214

Distribution Coefficient, logD

6.138

Water Solubility, LogSw

-6.11

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1812-0738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1812-0738?
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What is the minimum amount of 1812-0738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1812-0738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1812-0738
  • 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 1812-0738 available by request