1981-1451 Screening compound: N'-[(E)-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-3,4-dichlorobenzohydrazide

1981-1451 Screening compound: N'-[(E)-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-3,4-dichlorobenzohydrazide
1981-1451 Screening compound: N'-[(E)-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-3,4-dichlorobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1981-1451
N'-[(E)-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-3,4-dichlorobenzohydrazide

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

1981-1451

Molecular Formula

C23H17Cl2N3O3S (C23 H17 Cl2 N3 O3 S)

Compound Name

N'-[(E)-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-3,4-dichlorobenzohydrazide

IUPAC name

N'-[(E)-{3-[(13-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-34-dichlorobenzohydrazide

SMILES

COc1c(CSc2nc(cccc3)c3o2)cc(/C=N/NC(c(cc2)cc(Cl)c2Cl)=O)cc1

InChI

InChI=1S/C23H17Cl2N3O3S/c1-30-20-9-6-14(12-26-28-22(29)15-7-8-17(24)18(25)11-15)10-16(20)13-32-23-27-19-4-2-3-5-21(19)31-23/h2-12H,13H2,1H3,(H,28,29)

InChI Key

BEAGHLXZNLCFBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.610

Distribution Coefficient, logD

6.510

Water Solubility, LogSw

-6.30

Polar Surface Area

59.576

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

1981-1451 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1981-1451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1981-1451?
Check Price and Availability of 1981-1451, 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 1981-1451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1981-1451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1981-1451
  • 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 1981-1451 available by request