D291-0085 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

D291-0085 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
D291-0085 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D291-0085
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

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

D291-0085

Molecular Formula

C14H21N7O3S (C14 H21 N7 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(CSc1nnc(-c2nonc2NC(C)=O)n1CC)=O

InChI

InChI=1S/C14H21N7O3S/c1-5-20(6-2)10(23)8-25-14-17-16-13(21(14)7-3)11-12(15-9(4)22)19-24-18-11/h5-8H2,1-4H3,(H,15,19,22)

InChI Key

HWIJUDURLQFUST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09221494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.180

Distribution Coefficient, logD

1.176

Water Solubility, LogSw

-1.88

Polar Surface Area

99.932

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

D291-0085 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D291-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D291-0085?
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What is the minimum amount of D291-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D291-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D291-0085
  • 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 D291-0085 available by request