C466-0111 Screening compound: 3-(5-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

C466-0111 Screening compound: 3-(5-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
C466-0111 Screening compound: 3-(5-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C466-0111
3-(5-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

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

C466-0111

Molecular Formula

C19H17BrCl2N2O2 (C19 H17 BrCl2 N2 O2)

Compound Name

3-(5-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

IUPAC name

(3R7aS)-3-(5-bromo-2-methoxyphenyl)-2-(34-dichlorophenyl)-hexahydro-1H-pyrrolo[12-c]imidazol-1-one

SMILES

COc(cc1)c([C@@H](N(CCC2)[C@H]2C2=O)N2c(cc2)cc(Cl)c2Cl)cc1Br

InChI

InChI=1S/C19H17BrCl2N2O2/c1-26-17-7-4-11(20)9-13(17)18-23-8-2-3-16(23)19(25)24(18)12-5-6-14(21)15(22)10-12/h4-7,9-10,16,18H,2-3,8H2,1H3/t16-,18-/m0/s1

InChI Key

ZKCPAYWSIAZFAA-WMZOPIPTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.17

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.288

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-5.92

Polar Surface Area

26.812

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

6.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.60

C466-0111 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C466-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C466-0111?
Check Price and Availability of C466-0111, 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 C466-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C466-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C466-0111
  • 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 C466-0111 available by request