H027-5039C Screening compound: ethyl (3R,4R,5S)-5-amino-3-(1-ethylpropoxy)-4-[(2-fluoroacetyl)amino]-1-cyclohexene-1-carboxylate

H027-5039C Screening compound: ethyl (3R,4R,5S)-5-amino-3-(1-ethylpropoxy)-4-[(2-fluoroacetyl)amino]-1-cyclohexene-1-carboxylate
H027-5039C Screening compound: ethyl (3R,4R,5S)-5-amino-3-(1-ethylpropoxy)-4-[(2-fluoroacetyl)amino]-1-cyclohexene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-5039C
ethyl (3R,4R,5S)-5-amino-3-(1-ethylpropoxy)-4-[(2-fluoroacetyl)amino]-1-cyclohexene-1-carboxylate

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

H027-5039C

Molecular Formula

C16H27FN2O4 (C16 H27 FN2 O4)

Compound Name

ethyl (3R,4R,5S)-5-amino-3-(1-ethylpropoxy)-4-[(2-fluoroacetyl)amino]-1-cyclohexene-1-carboxylate

IUPAC name

ethyl (3R4R5S)-5-amino-4-(2-fluoroacetamido)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate

SMILES

CCC(CC)O[C@@H]([C@@H]([C@H](C1)N)NC(CF)=O)C=C1C(OCC)=O

InChI

InChI=1S/C16H27FN2O4/c1-4-11(5-2)23-13-8-10(16(21)22-6-3)7-12(18)15(13)19-14(20)9-17/h8,11-13,15H,4-7,9,18H2,1-3H3,(H,19,20)/t12-,13+,15+/m0/s1

InChI Key

HSDFXGYMOIDVQX-GZBFAFLISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

330.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.979

Distribution Coefficient, logD

0.108

Water Solubility, LogSw

-1.25

Polar Surface Area

72.093

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

75.00

H027-5039C in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with H027-5039C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-5039C?
Check Price and Availability of H027-5039C, 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 H027-5039C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-5039C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-5039C
  • 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 H027-5039C available by request