D178-0033 Screening compound: N'-(3-bromophenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide

D178-0033 Screening compound: N'-(3-bromophenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide
D178-0033 Screening compound: N'-(3-bromophenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0033
N'-(3-bromophenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide

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

D178-0033

Molecular Formula

C21H23BrN2O4 (C21 H23 BrN2 O4)

Compound Name

N'-(3-bromophenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide

IUPAC name

N'-(3-bromophenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide

SMILES

COc1ccc(C2(CNC(C(Nc3cccc(Br)c3)=O)=O)CCOCC2)cc1

InChI

InChI=1S/C21H23BrN2O4/c1-27-18-7-5-15(6-8-18)21(9-11-28-12-10-21)14-23-19(25)20(26)24-17-4-2-3-16(22)13-17/h2-8,13H,9-12,14H2,1H3,(H,23,25)(H,24,26)

InChI Key

XOHYRVCPBDDIJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

2.631

Water Solubility, LogSw

-4.13

Polar Surface Area

63.387

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D178-0033 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with D178-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0033?
Check Price and Availability of D178-0033, 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 D178-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0033
  • 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 D178-0033 available by request