D216-2120 Screening compound: 1-(4-bromophenyl)-3-{[1-(2-phenylethyl)pyrrolidin-3-yl]methyl}urea

D216-2120 Screening compound: 1-(4-bromophenyl)-3-{[1-(2-phenylethyl)pyrrolidin-3-yl]methyl}urea
D216-2120 Screening compound: 1-(4-bromophenyl)-3-{[1-(2-phenylethyl)pyrrolidin-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-2120
1-(4-bromophenyl)-3-{[1-(2-phenylethyl)pyrrolidin-3-yl]methyl}urea

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

D216-2120

Molecular Formula

C20H24BrN3O (C20 H24 BrN3 O)

Compound Name

1-(4-bromophenyl)-3-{[1-(2-phenylethyl)pyrrolidin-3-yl]methyl}urea

IUPAC name

1-(4-bromophenyl)-3-{[1-(2-phenylethyl)pyrrolidin-3-yl]methyl}urea

SMILES

O=C(NCC1CN(CCc2ccccc2)CC1)Nc(cc1)ccc1Br

InChI

InChI=1S/C20H24BrN3O/c21-18-6-8-19(9-7-18)23-20(25)22-14-17-11-13-24(15-17)12-10-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H2,22,23,25)/t17-/m1/s1

InChI Key

OISWPNBJSVPDNX-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14814614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.193

Distribution Coefficient, logD

0.867

Water Solubility, LogSw

-4.31

Polar Surface Area

37.874

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

10.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D216-2120 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D216-2120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-2120?
Check Price and Availability of D216-2120, 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 D216-2120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-2120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-2120
  • 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 D216-2120 available by request