D291-0088 Screening compound: N-cycloheptyl-2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

D291-0088 Screening compound: N-cycloheptyl-2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
D291-0088 Screening compound: N-cycloheptyl-2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D291-0088
N-cycloheptyl-2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

D291-0088

Molecular Formula

C17H25N7O3S (C17 H25 N7 O3 S)

Compound Name

N-cycloheptyl-2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-cycloheptyl-2-{[5-(4-acetamido-125-oxadiazol-3-yl)-4-ethyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CCn1c(SCC(NC2CCCCCC2)=O)nnc1-c1nonc1NC(C)=O

InChI

InChI=1S/C17H25N7O3S/c1-3-24-16(14-15(18-11(2)25)23-27-22-14)20-21-17(24)28-10-13(26)19-12-8-6-4-5-7-9-12/h12H,3-10H2,1-2H3,(H,19,26)(H,18,23,25)

InChI Key

ZDYFNXXUBWZNBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09221497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.429

Distribution Coefficient, logD

2.424

Water Solubility, LogSw

-2.57

Polar Surface Area

108.783

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

References: we are preparing a list of scientific research reports with D291-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D291-0088?
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What is the minimum amount of D291-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D291-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D291-0088
  • 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 D291-0088 available by request