8015-3562 Screening compound: 2-{2-[5-(4-methylphenyl)-1H-1,2,3,4-tetraazol-1-yl]-6,8-dioxabicyclo[3.2.1]oct-4-yliden}-1-hydrazinecarbothioamide

8015-3562 Screening compound: 2-{2-[5-(4-methylphenyl)-1H-1,2,3,4-tetraazol-1-yl]-6,8-dioxabicyclo[3.2.1]oct-4-yliden}-1-hydrazinecarbothioamide
8015-3562 Screening compound: 2-{2-[5-(4-methylphenyl)-1H-1,2,3,4-tetraazol-1-yl]-6,8-dioxabicyclo[3.2.1]oct-4-yliden}-1-hydrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3562
2-{2-[5-(4-methylphenyl)-1H-1,2,3,4-tetraazol-1-yl]-6,8-dioxabicyclo[3.2.1]oct-4-yliden}-1-hydrazinecarbothioamide

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

8015-3562

Molecular Formula

C15H17N7O2S (C15 H17 N7 O2 S)

Compound Name

2-{2-[5-(4-methylphenyl)-1H-1,2,3,4-tetraazol-1-yl]-6,8-dioxabicyclo[3.2.1]oct-4-yliden}-1-hydrazinecarbothioamide

IUPAC name

{[(4E)-2-[5-(4-methylphenyl)-1H-1234-tetrazol-1-yl]-68-dioxabicyclo[3.2.1]octan-4-ylidene]amino}thiourea

SMILES

Cc(cc1)ccc1-c1nnnn1C(C/C1=N\NC(N)=S)C2OC1OC2

InChI

InChI=1S/C15H17N7O2S/c1-8-2-4-9(5-3-8)13-18-20-21-22(13)11-6-10(17-19-15(16)25)14-23-7-12(11)24-14/h2-5,11-12,14H,6-7H2,1H3,(H3,16,19,25)

InChI Key

YYSSBGGIXORYLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.548

Distribution Coefficient, logD

1.548

Water Solubility, LogSw

-2.15

Polar Surface Area

97.326

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

8015-3562 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8015-3562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3562?
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What is the minimum amount of 8015-3562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3562
  • 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 8015-3562 available by request