0958-0313 Screening compound: 2,4-dibromo-6-[(E)-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl]phenol

0958-0313 Screening compound: 2,4-dibromo-6-[(E)-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl]phenol
0958-0313 Screening compound: 2,4-dibromo-6-[(E)-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0958-0313
2,4-dibromo-6-[(E)-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl]phenol

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

0958-0313

Molecular Formula

C23H18Br2N2O2 (C23 H18 Br2 N2 O2)

Compound Name

2,4-dibromo-6-[(E)-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl]phenol

IUPAC name

24-dibromo-6-[(E)-{[5-(57-dimethyl-13-benzoxazol-2-yl)-2-methylphenyl]imino}methyl]phenol

SMILES

Cc(cc1C)cc2c1oc(-c1cc(/N=C/c3cc(Br)cc(Br)c3O)c(C)cc1)n2

InChI

InChI=1S/C23H18Br2N2O2/c1-12-6-14(3)22-20(7-12)27-23(29-22)15-5-4-13(2)19(9-15)26-11-16-8-17(24)10-18(25)21(16)28/h4-11,28H,1-3H3

InChI Key

VMLBVIAVASAKQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00645798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.22

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

7.500

Distribution Coefficient, logD

6.934

Water Solubility, LogSw

-5.63

Polar Surface Area

40.190

Acid Dissociation Constant (pKa)

6.97

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

0958-0313 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0958-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0958-0313?
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What is the minimum amount of 0958-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0958-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0958-0313
  • 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 0958-0313 available by request