D027-0060 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenyl-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

D027-0060 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenyl-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
D027-0060 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenyl-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D027-0060
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenyl-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

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

D027-0060

Molecular Formula

C21H17F3N4O3S (C21 H17 F3 N4 O3 S)

Compound Name

2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenyl-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

IUPAC name

2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}-3-phenyl-N-[5-(trifluoromethyl)-134-thiadiazol-2-yl]propanamide

SMILES

O=C(C(Cc1ccccc1)N(C(C1C2C3C=CC1C3)=O)C2=O)Nc1nnc(C(F)(F)F)s1

InChI

InChI=1S/C21H17F3N4O3S/c22-21(23,24)19-26-27-20(32-19)25-16(29)13(8-10-4-2-1-3-5-10)28-17(30)14-11-6-7-12(9-11)15(14)18(28)31/h1-7,11-15H,8-9H2,(H,25,27,29)

InChI Key

RZBWWEZVAILLBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.276

Distribution Coefficient, logD

0.542

Water Solubility, LogSw

-3.47

Polar Surface Area

75.898

Acid Dissociation Constant (pKa)

4.67

Base Dissociation Constant (pKb)

-4.33

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

38.10

D027-0060 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D027-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D027-0060?
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What is the minimum amount of D027-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D027-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D027-0060
  • 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 D027-0060 available by request