D731-0045 Screening compound: 4-[1-(4-bromophenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbonyl]morpholine

D731-0045 Screening compound: 4-[1-(4-bromophenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbonyl]morpholine
D731-0045 Screening compound: 4-[1-(4-bromophenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0045
4-[1-(4-bromophenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbonyl]morpholine

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

D731-0045

Molecular Formula

C16H19BrN4O2 (C16 H19 BrN4 O2)

Compound Name

4-[1-(4-bromophenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbonyl]morpholine

IUPAC name

4-[1-(4-bromophenyl)-5-(propan-2-yl)-1H-123-triazole-4-carbonyl]morpholine

SMILES

CC(C)c1c(C(N2CCOCC2)=O)nnn1-c(cc1)ccc1Br

InChI

InChI=1S/C16H19BrN4O2/c1-11(2)15-14(16(22)20-7-9-23-10-8-20)18-19-21(15)13-5-3-12(17)4-6-13/h3-6,11H,7-10H2,1-2H3

InChI Key

YUMUAAMXCACDKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11843121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

3.037

Water Solubility, LogSw

-3.05

Polar Surface Area

50.668

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D731-0045 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D731-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0045?
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What is the minimum amount of D731-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0045
  • 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 D731-0045 available by request