8009-1701 Screening compound: N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

8009-1701 Screening compound: N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
8009-1701 Screening compound: N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1701
N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

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

8009-1701

Molecular Formula

C18H16N6OS3 (C18 H16 N6 OS3)

Compound Name

N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

IUPAC name

N-[2-(ethylsulfanyl)-13-benzothiazol-6-yl]-2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]acetamide

SMILES

CCSc1nc(ccc(NC(CSc2nnnn2-c2ccccc2)=O)c2)c2s1

InChI

InChI=1S/C18H16N6OS3/c1-2-26-18-20-14-9-8-12(10-15(14)28-18)19-16(25)11-27-17-21-22-23-24(17)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,19,25)

InChI Key

COYJBINGPVUXMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01204457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.26

Polar Surface Area

72.120

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8009-1701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1701?
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What is the minimum amount of 8009-1701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1701
  • 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 8009-1701 available by request