D731-0060 Screening compound: 4-[1-(3-methylphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbonyl]morpholine

D731-0060 Screening compound: 4-[1-(3-methylphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbonyl]morpholine
D731-0060 Screening compound: 4-[1-(3-methylphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0060
4-[1-(3-methylphenyl)-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

D731-0060

Molecular Formula

C17H22N4O2 (C17 H22 N4 O2)

Compound Name

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

IUPAC name

4-[1-(3-methylphenyl)-5-(propan-2-yl)-1H-123-triazole-4-carbonyl]morpholine

SMILES

CC(C)c1c(C(N2CCOCC2)=O)nnn1-c1cc(C)ccc1

InChI

InChI=1S/C17H22N4O2/c1-12(2)16-15(17(22)20-7-9-23-10-8-20)18-19-21(16)14-6-4-5-13(3)11-14/h4-6,11-12H,7-10H2,1-3H3

InChI Key

FSVMYAFMJIKVCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11843014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

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

2.696

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-2.67

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

D731-0060 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D731-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0060?
Check Price and Availability of D731-0060, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D731-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0060
  • 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 D731-0060 available by request