C710-0077 Screening compound: 2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

C710-0077 Screening compound: 2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one
C710-0077 Screening compound: 2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C710-0077
2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

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

C710-0077

Molecular Formula

C11H11N5O2S2 (C11 H11 N5 O2 S2)

Compound Name

2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

IUPAC name

2-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-1-hydroxy-1234-tetrahydro-124-benzotriazin-3-one

SMILES

CCSc1nnc(N(C(Nc2c3cccc2)=O)N3O)s1

InChI

InChI=1S/C11H11N5O2S2/c1-2-19-11-14-13-10(20-11)15-9(17)12-7-5-3-4-6-8(7)16(15)18/h3-6,18H,2H2,1H3,(H,12,17)

InChI Key

QNTLPIBFLNHNTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.361

Distribution Coefficient, logD

2.294

Water Solubility, LogSw

-2.76

Polar Surface Area

71.295

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C710-0077 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C710-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C710-0077?
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What is the minimum amount of C710-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C710-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C710-0077
  • 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 C710-0077 available by request