7756-0591 Screening compound: 4-({[5-(4-bromophenyl)-1-methyl-1H-imidazol-2-yl]amino}methyl)-2-ethoxyphenol

7756-0591 Screening compound: 4-({[5-(4-bromophenyl)-1-methyl-1H-imidazol-2-yl]amino}methyl)-2-ethoxyphenol
7756-0591 Screening compound: 4-({[5-(4-bromophenyl)-1-methyl-1H-imidazol-2-yl]amino}methyl)-2-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7756-0591
4-({[5-(4-bromophenyl)-1-methyl-1H-imidazol-2-yl]amino}methyl)-2-ethoxyphenol

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

7756-0591

Molecular Formula

C19H20BrN3O2 (C19 H20 BrN3 O2)

Compound Name

4-({[5-(4-bromophenyl)-1-methyl-1H-imidazol-2-yl]amino}methyl)-2-ethoxyphenol

IUPAC name

4-({[5-(4-bromophenyl)-1-methyl-1H-imidazol-2-yl]amino}methyl)-2-ethoxyphenol

SMILES

CCOc(cc(CNc1ncc(-c(cc2)ccc2Br)n1C)cc1)c1O

InChI

InChI=1S/C19H20BrN3O2/c1-3-25-18-10-13(4-9-17(18)24)11-21-19-22-12-16(23(19)2)14-5-7-15(20)8-6-14/h4-10,12,24H,3,11H2,1-2H3,(H,21,22)

InChI Key

TYFYMFIQIJRXKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04367061

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

402.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.228

Distribution Coefficient, logD

2.409

Water Solubility, LogSw

-3.81

Polar Surface Area

47.163

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7756-0591 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 7756-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7756-0591?
Check Price and Availability of 7756-0591, 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 7756-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7756-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7756-0591
  • 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 7756-0591 available by request