8015-2247 Screening compound: 2-{2-[5-(2-chlorophenyl)-1H-1,2,3,4-tetraazol-1-yl]-6,8-dioxabicyclo[3.2.1]oct-4-yliden}-1-hydrazinecarbothioamide

8015-2247 Screening compound: 2-{2-[5-(2-chlorophenyl)-1H-1,2,3,4-tetraazol-1-yl]-6,8-dioxabicyclo[3.2.1]oct-4-yliden}-1-hydrazinecarbothioamide
8015-2247 Screening compound: 2-{2-[5-(2-chlorophenyl)-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 8015-2247
2-{2-[5-(2-chlorophenyl)-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

8015-2247

Molecular Formula

C14H14ClN7O2S (C14 H14 ClN7 O2 S)

Compound Name

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

IUPAC name

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

SMILES

NC(N/N=C(\C1)/C(OC2)OC2C1n1nnnc1-c(cccc1)c1Cl)=S

InChI

InChI=1S/C14H14ClN7O2S/c15-8-4-2-1-3-7(8)12-18-20-21-22(12)10-5-9(17-19-14(16)25)13-23-6-11(10)24-13/h1-4,10-11,13H,5-6H2,(H3,16,19,25)/b17-9+

InChI Key

YBDDQEKCHZFQOA-RQZCQDPDSA-N

MDL Number (MFCD)

MFCD03856116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.83

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

1.356

Distribution Coefficient, logD

1.356

Water Solubility, LogSw

-2.87

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

35.71

8015-2247 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-2247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2247?
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What is the minimum amount of 8015-2247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2247
  • 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 8015-2247 available by request