8017-9300 Screening compound: 2-((E)-1-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-5-methyl-2-thienyl}methylidene)-1-hydrazinecarboxamide

8017-9300 Screening compound: 2-((E)-1-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-5-methyl-2-thienyl}methylidene)-1-hydrazinecarboxamide
8017-9300 Screening compound: 2-((E)-1-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-5-methyl-2-thienyl}methylidene)-1-hydrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9300
2-((E)-1-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-5-methyl-2-thienyl}methylidene)-1-hydrazinecarboxamide

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

8017-9300

Molecular Formula

C15H14N4OS3 (C15 H14 N4 OS3)

Compound Name

2-((E)-1-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-5-methyl-2-thienyl}methylidene)-1-hydrazinecarboxamide

IUPAC name

[(E)-({4-[(13-benzothiazol-2-ylsulfanyl)methyl]-5-methylthiophen-2-yl}methylidene)amino]urea

SMILES

Cc1c(CSc2nc(cccc3)c3s2)cc(/C=N/NC(N)=O)s1

InChI

InChI=1S/C15H14N4OS3/c1-9-10(6-11(22-9)7-17-19-14(16)20)8-21-15-18-12-4-2-3-5-13(12)23-15/h2-7H,8H2,1H3,(H3,16,19,20)

InChI Key

VDBJQWWYNWORHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.716

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.59

Polar Surface Area

66.352

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

References: we are preparing a list of scientific research reports with 8017-9300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9300?
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What is the minimum amount of 8017-9300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9300
  • 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 8017-9300 available by request