D731-0035 Screening compound: {5-isopropyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}(morpholino)methanone

D731-0035 Screening compound: {5-isopropyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}(morpholino)methanone
D731-0035 Screening compound: {5-isopropyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}(morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0035
{5-isopropyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}(morpholino)methanone

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

D731-0035

Molecular Formula

C17H19F3N4O2 (C17 H19 F3 N4 O2)

Compound Name

{5-isopropyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}(morpholino)methanone

IUPAC name

n/a

SMILES

CC(C)c1c(C(N2CCOCC2)=O)nnn1-c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C17H19F3N4O2/c1-11(2)15-14(16(25)23-6-8-26-9-7-23)21-22-24(15)13-5-3-4-12(10-13)17(18,19)20/h3-5,10-11H,6-9H2,1-2H3

InChI Key

BHUCQRDLJAALGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11842368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

3.055

Water Solubility, LogSw

-3.20

Polar Surface Area

50.668

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

D731-0035 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D731-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0035?
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What is the minimum amount of D731-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0035
  • 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 D731-0035 available by request