8002-0988 Screening compound: 4-bromo-2-[(E)-{[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-iodophenol

8002-0988 Screening compound: 4-bromo-2-[(E)-{[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-iodophenol
8002-0988 Screening compound: 4-bromo-2-[(E)-{[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-iodophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-0988
4-bromo-2-[(E)-{[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-iodophenol

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

8002-0988

Molecular Formula

C20H11BrFIN2O2 (C20 H11 BrFIN2 O2)

Compound Name

4-bromo-2-[(E)-{[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-iodophenol

IUPAC name

4-bromo-2-[(E)-{[2-(4-fluorophenyl)-13-benzoxazol-5-yl]imino}methyl]-6-iodophenol

SMILES

Oc(c(/C=N/c(cc1)cc2c1oc(-c(cc1)ccc1F)n2)cc(Br)c1)c1I

InChI

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

InChI Key

BKGBIBYHWRCABF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00361867

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

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.619

Distribution Coefficient, logD

6.042

Water Solubility, LogSw

-6.15

Polar Surface Area

40.655

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8002-0988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-0988?
Check Price and Availability of 8002-0988, 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 8002-0988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-0988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-0988
  • 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 8002-0988 available by request