8013-1175 Screening compound: diethyl [1-{[(benzyloxy)carbonyl]amino}-2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]phosphonate

8013-1175 Screening compound: diethyl [1-{[(benzyloxy)carbonyl]amino}-2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]phosphonate
8013-1175 Screening compound: diethyl [1-{[(benzyloxy)carbonyl]amino}-2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1175
diethyl [1-{[(benzyloxy)carbonyl]amino}-2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]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

8013-1175

Molecular Formula

C22H24F3N2O5P (C22 H24 F3 N2 O5 P)

Compound Name

diethyl [1-{[(benzyloxy)carbonyl]amino}-2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]phosphonate

IUPAC name

benzyl N-[1-(diethoxyphosphoryl)-222-trifluoro-1-(1H-indol-3-yl)ethyl]carbamate

SMILES

CCOP(C(C(F)(F)F)(c1c[nH]c2c1cccc2)NC(OCc1ccccc1)=O)(OCC)=O

InChI

InChI=1S/C22H24F3N2O5P/c1-3-31-33(29,32-4-2)21(22(23,24)25,18-14-26-19-13-9-8-12-17(18)19)27-20(28)30-15-16-10-6-5-7-11-16/h5-14,26H,3-4,15H2,1-2H3,(H,27,28)/t21-/m1/s1

InChI Key

WZHQBWMTTMYJPV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03409091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-5.14

Polar Surface Area

72.659

Acid Dissociation Constant (pKa)

5.66

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

References: we are preparing a list of scientific research reports with 8013-1175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1175?
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What is the minimum amount of 8013-1175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1175
  • 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 8013-1175 available by request