8003-6823 Screening compound: 3,4-dibromo-2-[({2-[4-(tert-butyl)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-methoxyphenol

8003-6823 Screening compound: 3,4-dibromo-2-[({2-[4-(tert-butyl)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-methoxyphenol
8003-6823 Screening compound: 3,4-dibromo-2-[({2-[4-(tert-butyl)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6823
3,4-dibromo-2-[({2-[4-(tert-butyl)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-methoxyphenol

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

8003-6823

Molecular Formula

C25H22Br2N2O3 (C25 H22 Br2 N2 O3)

Compound Name

3,4-dibromo-2-[({2-[4-(tert-butyl)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-methoxyphenol

IUPAC name

34-dibromo-2-[(E)-{[2-(4-tert-butylphenyl)-13-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(cc(cc2)/N=C/c(c(Br)c(cc3OC)Br)c3O)c2o1

InChI

InChI=1S/C25H22Br2N2O3/c1-25(2,3)15-7-5-14(6-8-15)24-29-19-11-16(9-10-20(19)32-24)28-13-17-22(27)18(26)12-21(31-4)23(17)30/h5-13,30H,1-4H3

InChI Key

VHINIIPXURPTKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.586

Distribution Coefficient, logD

7.118

Water Solubility, LogSw

-5.69

Polar Surface Area

48.286

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8003-6823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6823?
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What is the minimum amount of 8003-6823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6823
  • 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 8003-6823 available by request