1315-0128 Screening compound: 2,4-dibromo-6-[(E)-{[4-(morpholin-4-yl)phenyl]imino}methyl]benzene-1,3-diol

1315-0128 Screening compound: 2,4-dibromo-6-[(E)-{[4-(morpholin-4-yl)phenyl]imino}methyl]benzene-1,3-diol
1315-0128 Screening compound: 2,4-dibromo-6-[(E)-{[4-(morpholin-4-yl)phenyl]imino}methyl]benzene-1,3-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1315-0128
2,4-dibromo-6-[(E)-{[4-(morpholin-4-yl)phenyl]imino}methyl]benzene-1,3-diol

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

1315-0128

Molecular Formula

C17H16Br2N2O3 (C17 H16 Br2 N2 O3)

Compound Name

2,4-dibromo-6-[(E)-{[4-(morpholin-4-yl)phenyl]imino}methyl]benzene-1,3-diol

IUPAC name

24-dibromo-6-[(E)-{[4-(morpholin-4-yl)phenyl]imino}methyl]benzene-13-diol

SMILES

Oc(c(Br)c1O)c(/C=N/c(cc2)ccc2N2CCOCC2)cc1Br

InChI

InChI=1S/C17H16Br2N2O3/c18-14-9-11(16(22)15(19)17(14)23)10-20-12-1-3-13(4-2-12)21-5-7-24-8-6-21/h1-4,9-10,22-23H,5-8H2

InChI Key

FUOGBKUKBVUSCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00504270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.13

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.268

Distribution Coefficient, logD

3.517

Water Solubility, LogSw

-4.12

Polar Surface Area

50.685

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

1315-0128 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1315-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1315-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1315-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1315-0128
  • 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 1315-0128 available by request