D731-0053 Screening compound: N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide

D731-0053 Screening compound: N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
D731-0053 Screening compound: N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0053
N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide

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

D731-0053

Molecular Formula

C15H20N4O3 (C15 H20 N4 O3)

Compound Name

N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-(propan-2-yl)-1H-123-triazole-4-carboxamide

SMILES

CC(C)c1c(C(NCCO)=O)nnn1-c(cc1)ccc1OC

InChI

InChI=1S/C15H20N4O3/c1-10(2)14-13(15(21)16-8-9-20)17-18-19(14)11-4-6-12(22-3)7-5-11/h4-7,10,20H,8-9H2,1-3H3,(H,16,21)

InChI Key

HQJJVMCCTGNXRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11842758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.572

Distribution Coefficient, logD

1.572

Water Solubility, LogSw

-1.94

Polar Surface Area

74.837

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with D731-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0053?
Check Price and Availability of D731-0053, 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 D731-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0053
  • 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 D731-0053 available by request