D443-2013 Screening compound: N'-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

D443-2013 Screening compound: N'-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
D443-2013 Screening compound: N'-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound D443-2013
N'-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

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

D443-2013

Molecular Formula

C26H22N6O3S (C26 H22 N6 O3 S)

Compound Name

N'-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

IUPAC name

N'-[5-methyl-1-(3-phenyl-21-benzoxazol-5-yl)-1H-123-triazole-4-carbonyl]-4567-tetrahydro-1-benzothiophene-3-carbohydrazide

SMILES

Cc1c(C(NNC(c2csc3c2CCCC3)=O)=O)nnn1-c1cc2c(-c3ccccc3)onc2cc1

InChI

InChI=1S/C26H22N6O3S/c1-15-23(26(34)29-28-25(33)20-14-36-22-10-6-5-9-18(20)22)27-31-32(15)17-11-12-21-19(13-17)24(35-30-21)16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,28,33)(H,29,34)

InChI Key

SNJAPYBVNGFLNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10082043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.676

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.45

Polar Surface Area

100.700

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D443-2013 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D443-2013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D443-2013?
Check Price and Availability of D443-2013, 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 D443-2013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D443-2013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D443-2013
  • 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 D443-2013 available by request