0616-0131 Screening compound: 4-bromo-2-[(E)-{[4-(4-methoxyphenyl)-1-[(E)-[(4-methoxyphenyl)methylidene]amino]-1H-imidazol-2-yl]imino}methyl]phenol

0616-0131 Screening compound: 4-bromo-2-[(E)-{[4-(4-methoxyphenyl)-1-[(E)-[(4-methoxyphenyl)methylidene]amino]-1H-imidazol-2-yl]imino}methyl]phenol
0616-0131 Screening compound: 4-bromo-2-[(E)-{[4-(4-methoxyphenyl)-1-[(E)-[(4-methoxyphenyl)methylidene]amino]-1H-imidazol-2-yl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0616-0131
4-bromo-2-[(E)-{[4-(4-methoxyphenyl)-1-[(E)-[(4-methoxyphenyl)methylidene]amino]-1H-imidazol-2-yl]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

0616-0131

Molecular Formula

C25H21BrN4O3 (C25 H21 BrN4 O3)

Compound Name

4-bromo-2-[(E)-{[4-(4-methoxyphenyl)-1-[(E)-[(4-methoxyphenyl)methylidene]amino]-1H-imidazol-2-yl]imino}methyl]phenol

IUPAC name

4-bromo-2-[(E)-{[4-(4-methoxyphenyl)-1-[(E)-[(4-methoxyphenyl)methylidene]amino]-1H-imidazol-2-yl]imino}methyl]phenol

SMILES

COc1ccc(/C=N/n2c(/N=C/c(cc(cc3)Br)c3O)nc(-c(cc3)ccc3OC)c2)cc1

InChI

InChI=1S/C25H21BrN4O3/c1-32-21-8-3-17(4-9-21)14-28-30-16-23(18-5-10-22(33-2)11-6-18)29-25(30)27-15-19-13-20(26)7-12-24(19)31/h3-16,31H,1-2H3

InChI Key

YWTHTIHEJLQJPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.923

Distribution Coefficient, logD

5.914

Water Solubility, LogSw

-5.48

Polar Surface Area

62.346

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

0616-0131 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0616-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0616-0131?
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What is the minimum amount of 0616-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0616-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0616-0131
  • 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 0616-0131 available by request