D665-0436 Screening compound: 4-[({[5-(4-bromophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid

D665-0436 Screening compound: 4-[({[5-(4-bromophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid
D665-0436 Screening compound: 4-[({[5-(4-bromophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D665-0436
4-[({[5-(4-bromophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid

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

D665-0436

Molecular Formula

C19H16BrNO3 (C19 H16 BrNO3)

Compound Name

4-[({[5-(4-bromophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid

IUPAC name

4-[({[5-(4-bromophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid

SMILES

OC(c1ccc(CNCc2ccc(-c(cc3)ccc3Br)o2)cc1)=O

InChI

InChI=1S/C19H16BrNO3/c20-16-7-5-14(6-8-16)18-10-9-17(24-18)12-21-11-13-1-3-15(4-2-13)19(22)23/h1-10,21H,11-12H2,(H,22,23)

InChI Key

AQPKBPKFIRLWLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07411548

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

386.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.816

Distribution Coefficient, logD

4.816

Water Solubility, LogSw

-4.57

Polar Surface Area

47.982

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D665-0436 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D665-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D665-0436?
Check Price and Availability of D665-0436, 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 D665-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D665-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D665-0436
  • 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 D665-0436 available by request