8014-8536 Screening compound: ethyl 4-(4-{[(4-fluorophenyl)carbamoyl]methyl}-5-oxo-2-sulfanylidene-3-{[4-(trifluoromethoxy)phenyl]methyl}imidazolidin-1-yl)benzoate

8014-8536 Screening compound: ethyl 4-(4-{[(4-fluorophenyl)carbamoyl]methyl}-5-oxo-2-sulfanylidene-3-{[4-(trifluoromethoxy)phenyl]methyl}imidazolidin-1-yl)benzoate
8014-8536 Screening compound: ethyl 4-(4-{[(4-fluorophenyl)carbamoyl]methyl}-5-oxo-2-sulfanylidene-3-{[4-(trifluoromethoxy)phenyl]methyl}imidazolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8536
ethyl 4-(4-{[(4-fluorophenyl)carbamoyl]methyl}-5-oxo-2-sulfanylidene-3-{[4-(trifluoromethoxy)phenyl]methyl}imidazolidin-1-yl)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

8014-8536

Molecular Formula

C28H23F4N3O5S (C28 H23 F4 N3 O5 S)

Compound Name

ethyl 4-(4-{[(4-fluorophenyl)carbamoyl]methyl}-5-oxo-2-sulfanylidene-3-{[4-(trifluoromethoxy)phenyl]methyl}imidazolidin-1-yl)benzoate

IUPAC name

ethyl 4-(4-{[(4-fluorophenyl)carbamoyl]methyl}-5-oxo-2-sulfanylidene-3-{[4-(trifluoromethoxy)phenyl]methyl}imidazolidin-1-yl)benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C(CC(Nc(cc1)ccc1F)=O)N1Cc(cc2)ccc2OC(F)(F)F)=O)C1=S)=O

InChI

InChI=1S/C28H23F4N3O5S/c1-2-39-26(38)18-5-11-21(12-6-18)35-25(37)23(15-24(36)33-20-9-7-19(29)8-10-20)34(27(35)41)16-17-3-13-22(14-4-17)40-28(30,31)32/h3-14,23H,2,15-16H2,1H3,(H,33,36)/t23-/m1/s1

InChI Key

ZFASTTGYHXCZKN-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03820412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.370

Distribution Coefficient, logD

5.369

Water Solubility, LogSw

-5.36

Polar Surface Area

68.087

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

8014-8536 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-8536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8536?
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What is the minimum amount of 8014-8536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8536
  • 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 8014-8536 available by request