D665-0212 Screening compound: 4-[({[5-(2,5-dichlorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid

D665-0212 Screening compound: 4-[({[5-(2,5-dichlorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid
D665-0212 Screening compound: 4-[({[5-(2,5-dichlorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D665-0212
4-[({[5-(2,5-dichlorophenyl)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

D665-0212

Molecular Formula

C19H15Cl2NO3 (C19 H15 Cl2 NO3)

Compound Name

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

IUPAC name

4-[({[5-(25-dichlorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid

SMILES

OC(c1ccc(CNCc2ccc(-c(cc(cc3)Cl)c3Cl)o2)cc1)=O

InChI

InChI=1S/C19H15Cl2NO3/c20-14-5-7-17(21)16(9-14)18-8-6-15(25-18)11-22-10-12-1-3-13(4-2-12)19(23)24/h1-9,22H,10-11H2,(H,23,24)

InChI Key

IRIDFLTZFZSBKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07411357

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

376.24

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

5.092

Distribution Coefficient, logD

5.092

Water Solubility, LogSw

-5.07

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

D665-0212 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D665-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D665-0212?
Check Price and Availability of D665-0212, 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 D665-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D665-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D665-0212
  • 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 D665-0212 available by request