8013-0592 Screening compound: 5-[(4-methoxyphenyl)amino]-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione

8013-0592 Screening compound: 5-[(4-methoxyphenyl)amino]-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
8013-0592 Screening compound: 5-[(4-methoxyphenyl)amino]-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0592
5-[(4-methoxyphenyl)amino]-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)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

8013-0592

Molecular Formula

C18H13F6N3O4 (C18 H13 F6 N3 O4)

Compound Name

5-[(4-methoxyphenyl)amino]-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione

IUPAC name

5-[(4-methoxyphenyl)amino]-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-24-dione

SMILES

COc(cc1)ccc1NC(C(F)(F)F)(C(N1c(cc2)ccc2OC(F)(F)F)=O)NC1=O

InChI

InChI=1S/C18H13F6N3O4/c1-30-12-6-2-10(3-7-12)25-16(17(19,20)21)14(28)27(15(29)26-16)11-4-8-13(9-5-11)31-18(22,23)24/h2-9,25H,1H3,(H,26,29)/t16-/m1/s1

InChI Key

MCLCZZCOBFYQFT-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03408629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.466

Distribution Coefficient, logD

2.596

Water Solubility, LogSw

-4.42

Polar Surface Area

64.488

Acid Dissociation Constant (pKa)

5.54

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8013-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0592?
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What is the minimum amount of 8013-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0592
  • 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 8013-0592 available by request