4476-4367 Screening compound: diethyl [(1Z)-1-phenyl-2-(phenylformamido)-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl]phosphonate

4476-4367 Screening compound: diethyl [(1Z)-1-phenyl-2-(phenylformamido)-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl]phosphonate
4476-4367 Screening compound: diethyl [(1Z)-1-phenyl-2-(phenylformamido)-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-4367
diethyl [(1Z)-1-phenyl-2-(phenylformamido)-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl]phosphonate

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

4476-4367

Molecular Formula

C27H26F3N2O5P (C27 H26 F3 N2 O5 P)

Compound Name

diethyl [(1Z)-1-phenyl-2-(phenylformamido)-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl]phosphonate

IUPAC name

diethyl [(1Z)-1-phenyl-2-(phenylformamido)-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl]phosphonate

SMILES

CCOP(/C(/c1ccccc1)=C(/C(Nc1cc(C(F)(F)F)ccc1)=O)\NC(c1ccccc1)=O)(OCC)=O

InChI

InChI=1S/C27H26F3N2O5P/c1-3-36-38(35,37-4-2)24(19-12-7-5-8-13-19)23(32-25(33)20-14-9-6-10-15-20)26(34)31-22-17-11-16-21(18-22)27(28,29)30/h5-18H,3-4H2,1-2H3,(H,31,34)(H,32,33)

InChI Key

STJAGBWKUWZBJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01459713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.058

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.87

Polar Surface Area

78.145

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 4476-4367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-4367?
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What is the minimum amount of 4476-4367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-4367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-4367
  • 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 4476-4367 available by request