Y043-5293 Screening compound: N-(5-isobutyl-1H-1,2,4-triazol-3-yl)-5-methoxy-1-methyl-1H-indole-2-carboxamide

Y043-5293 Screening compound: N-(5-isobutyl-1H-1,2,4-triazol-3-yl)-5-methoxy-1-methyl-1H-indole-2-carboxamide
Y043-5293 Screening compound: N-(5-isobutyl-1H-1,2,4-triazol-3-yl)-5-methoxy-1-methyl-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5293
N-(5-isobutyl-1H-1,2,4-triazol-3-yl)-5-methoxy-1-methyl-1H-indole-2-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

Y043-5293

Molecular Formula

C17H21N5O2 (C17 H21 N5 O2)

Compound Name

N-(5-isobutyl-1H-1,2,4-triazol-3-yl)-5-methoxy-1-methyl-1H-indole-2-carboxamide

IUPAC name

5-methoxy-1-methyl-N-[5-(2-methylpropyl)-1H-124-triazol-3-yl]-1H-indole-2-carboxamide

SMILES

CC(C)Cc1nc(NC(c2cc(cc(cc3)OC)c3n2C)=O)n[nH]1

InChI

InChI=1S/C17H21N5O2/c1-10(2)7-15-18-17(21-20-15)19-16(23)14-9-11-8-12(24-4)5-6-13(11)22(14)3/h5-6,8-10H,7H2,1-4H3,(H2,18,19,20,21,23)

InChI Key

YNFWAILCWRBJQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28986627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.72

Polar Surface Area

68.590

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

Y043-5293 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 Y043-5293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5293?
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What is the minimum amount of Y043-5293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5293
  • 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 Y043-5293 available by request