8388-0029 Screening compound: tert-butyl N-[1-(5-{[(3-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate

8388-0029 Screening compound: tert-butyl N-[1-(5-{[(3-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate
8388-0029 Screening compound: tert-butyl N-[1-(5-{[(3-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0029
tert-butyl N-[1-(5-{[(3-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate

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

8388-0029

Molecular Formula

C16H20BrN3O3S (C16 H20 BrN3 O3 S)

Compound Name

tert-butyl N-[1-(5-{[(3-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate

IUPAC name

tert-butyl N-[(1S)-1-(5-{[(3-bromophenyl)methyl]sulfanyl}-134-oxadiazol-2-yl)ethyl]carbamate

SMILES

C[C@@H](c(o1)nnc1SCc1cccc(Br)c1)NC(OC(C)(C)C)=O

InChI

InChI=1S/C16H20BrN3O3S/c1-10(18-14(21)23-16(2,3)4)13-19-20-15(22-13)24-9-11-6-5-7-12(17)8-11/h5-8,10H,9H2,1-4H3,(H,18,21)/t10-/m0/s1

InChI Key

WZZICCBBLWDRHA-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-4.38

Polar Surface Area

61.374

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with 8388-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0029?
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What is the minimum amount of 8388-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0029
  • 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 8388-0029 available by request