C636-1760 Screening compound: ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl}acetamido)benzoate

C636-1760 Screening compound: ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl}acetamido)benzoate
C636-1760 Screening compound: ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-1760
ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl}acetamido)benzoate

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

C636-1760

Molecular Formula

C28H24FN3O7 (C28 H24 FN3 O7)

Compound Name

ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{3-[(2H-13-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-25-dioxoimidazolidin-4-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1c(cc2)ccc2F)=O)N(Cc(cc2)cc3c2OCO3)C1=O)=O)=O

InChI

InChI=1S/C28H24FN3O7/c1-2-37-27(35)18-4-8-20(9-5-18)30-25(33)14-22-26(34)32(21-10-6-19(29)7-11-21)28(36)31(22)15-17-3-12-23-24(13-17)39-16-38-23/h3-13,22H,2,14-16H2,1H3,(H,30,33)/t22-/m1/s1

InChI Key

HSUNFMMAXBGBCP-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04139317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.820

Water Solubility, LogSw

-4.07

Polar Surface Area

92.574

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

C636-1760 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C636-1760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-1760?
Check Price and Availability of C636-1760, 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 C636-1760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-1760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-1760
  • 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 C636-1760 available by request