4545-1338 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(3,4-diethoxyphenyl)methylidene]imidazolidine-2,4-dione

4545-1338 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(3,4-diethoxyphenyl)methylidene]imidazolidine-2,4-dione
4545-1338 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(3,4-diethoxyphenyl)methylidene]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4545-1338
(5E)-3-[(4-bromophenyl)methyl]-5-[(3,4-diethoxyphenyl)methylidene]imidazolidine-2,4-dione

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

4545-1338

Molecular Formula

C21H21BrN2O4 (C21 H21 BrN2 O4)

Compound Name

(5E)-3-[(4-bromophenyl)methyl]-5-[(3,4-diethoxyphenyl)methylidene]imidazolidine-2,4-dione

IUPAC name

(5E)-3-[(4-bromophenyl)methyl]-5-[(34-diethoxyphenyl)methylidene]imidazolidine-24-dione

SMILES

CCOc(ccc(/C=C(\C(N1Cc(cc2)ccc2Br)=O)/NC1=O)c1)c1OCC

InChI

InChI=1S/C21H21BrN2O4/c1-3-27-18-10-7-15(12-19(18)28-4-2)11-17-20(25)24(21(26)23-17)13-14-5-8-16(22)9-6-14/h5-12H,3-4,13H2,1-2H3,(H,23,26)

InChI Key

KRJQNFKYVLWTHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.225

Distribution Coefficient, logD

4.225

Water Solubility, LogSw

-4.25

Polar Surface Area

55.091

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 4545-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4545-1338?
Check Price and Availability of 4545-1338, 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 4545-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4545-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4545-1338
  • 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 4545-1338 available by request