8016-5407 Screening compound: 11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-ylhydrosulfide

8016-5407 Screening compound: 11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-ylhydrosulfide
8016-5407 Screening compound: 11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5407
11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-ylhydrosulfide

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

8016-5407

Molecular Formula

C13H12N6S2 (C13 H12 N6 S2)

Compound Name

11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-ylhydrosulfide

IUPAC name

16-methyl-19-thia-2457810-hexaazapentacyclo[10.7.0.0^{26}.0^{711}.0^{1318}]nonadeca-1(12)3581013(18)-hexaene-3-thiol

SMILES

CC(CC1)Cc2c1c(c1ncnn1c(n13)nnc1S)c3s2

InChI

InChI=1S/C13H12N6S2/c1-6-2-3-7-8(4-6)21-11-9(7)10-14-5-15-19(10)12-16-17-13(20)18(11)12/h5-6H,2-4H2,1H3,(H,17,20)/t6-/m1/s1

InChI Key

DTWWOJCAWKOJOW-ZCFIWIBFSA-N

MDL Number (MFCD)

MFCD05857192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.435

Distribution Coefficient, logD

2.418

Water Solubility, LogSw

-2.28

Polar Surface Area

44.707

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

8016-5407 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-5407 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8016-5407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5407
  • 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 8016-5407 available by request