H027-5008 Screening compound: ethyl (3R,4R,5S)-4-(acetylamino)-3-(1-ethylpropoxy)-5-[(methylsulfonyl)amino]-1-cyclohexene-1-carboxylate

H027-5008 Screening compound: ethyl (3R,4R,5S)-4-(acetylamino)-3-(1-ethylpropoxy)-5-[(methylsulfonyl)amino]-1-cyclohexene-1-carboxylate
H027-5008 Screening compound: ethyl (3R,4R,5S)-4-(acetylamino)-3-(1-ethylpropoxy)-5-[(methylsulfonyl)amino]-1-cyclohexene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-5008
ethyl (3R,4R,5S)-4-(acetylamino)-3-(1-ethylpropoxy)-5-[(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

H027-5008

Molecular Formula

C17H30N2O6S (C17 H30 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H30N2O6S/c1-6-13(7-2)25-15-10-12(17(21)24-8-3)9-14(19-26(5,22)23)16(15)18-11(4)20/h10,13-16,19H,6-9H2,1-5H3,(H,18,20)/t14-,15+,16+/m0/s1

InChI Key

DOTCZZVZJFNUKA-ARFHVFGLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.398

Distribution Coefficient, logD

1.398

Water Solubility, LogSw

-1.95

Polar Surface Area

95.220

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

76.47

References: we are preparing a list of scientific research reports with H027-5008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-5008?
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What is the minimum amount of H027-5008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-5008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-5008
  • 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 H027-5008 available by request