H027-5013C Screening compound: ethyl (3R,4R,5S)-5-amino-3-(1-ethylpropoxy)-4-[(methylsulfonyl)amino]-1-cyclohexene-1-carboxylate

H027-5013C Screening compound: ethyl (3R,4R,5S)-5-amino-3-(1-ethylpropoxy)-4-[(methylsulfonyl)amino]-1-cyclohexene-1-carboxylate
H027-5013C Screening compound: ethyl (3R,4R,5S)-5-amino-3-(1-ethylpropoxy)-4-[(methylsulfonyl)amino]-1-cyclohexene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-5013C
ethyl (3R,4R,5S)-5-amino-3-(1-ethylpropoxy)-4-[(methylsulfonyl)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

H027-5013C

Molecular Formula

C15H28N2O5S (C15 H28 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H28N2O5S/c1-5-11(6-2)22-13-9-10(15(18)21-7-3)8-12(16)14(13)17-23(4,19)20/h9,11-14,17H,5-8,16H2,1-4H3/t12-,13+,14+/m0/s1

InChI Key

ZZFGBHLERWONSM-BFHYXJOUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

H3PO4

Molecular Weight

348.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.048

Distribution Coefficient, logD

0.771

Water Solubility, LogSw

-1.91

Polar Surface Area

90.811

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

7.35

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

80.00

References: we are preparing a list of scientific research reports with H027-5013C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-5013C?
Check Price and Availability of H027-5013C, 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 H027-5013C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-5013C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-5013C
  • 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 H027-5013C available by request