8388-0016 Screening compound: methyl 2-{[5-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

8388-0016 Screening compound: methyl 2-{[5-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
8388-0016 Screening compound: methyl 2-{[5-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0016
methyl 2-{[5-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

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

8388-0016

Molecular Formula

C12H19N3O5S (C12 H19 N3 O5 S)

Compound Name

methyl 2-{[5-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

IUPAC name

methyl 2-({5-[(1S)-1-{[(tert-butoxy)carbonyl]amino}ethyl]-134-oxadiazol-2-yl}sulfanyl)acetate

SMILES

C[C@@H](c(o1)nnc1SCC(OC)=O)NC(OC(C)(C)C)=O

InChI

InChI=1S/C12H19N3O5S/c1-7(13-10(17)20-12(2,3)4)9-14-15-11(19-9)21-6-8(16)18-5/h7H,6H2,1-5H3,(H,13,17)/t7-/m0/s1

InChI Key

NTJCDXJNVFXYJH-ZETCQYMHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.758

Distribution Coefficient, logD

1.758

Water Solubility, LogSw

-2.06

Polar Surface Area

82.225

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 8388-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0016?
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What is the minimum amount of 8388-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0016
  • 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 8388-0016 available by request