8015-2136 Screening compound: 6-formyl-5-methyl-4H,5H,6H-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium

8015-2136 Screening compound: 6-formyl-5-methyl-4H,5H,6H-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium
8015-2136 Screening compound: 6-formyl-5-methyl-4H,5H,6H-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2136
6-formyl-5-methyl-4H,5H,6H-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium

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

8015-2136

Molecular Formula

C13H13N2OS (C13 H13 N2 OS)

Compound Name

6-formyl-5-methyl-4H,5H,6H-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium

IUPAC name

9-formyl-8-methyl-5-thia-2lambda59-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)2(6)31012-pentaen-2-ylium

SMILES

CC(C1)N(C=O)c(cccc2)c2-[n+]2c1scc2

InChI

InChI=1S/C13H13N2OS/c1-10-8-13-14(6-7-17-13)11-4-2-3-5-12(11)15(10)9-16/h2-7,9-10H,8H2,1H3/q+1/t10-/m0/s1

InChI Key

KSLKVNOVBQWOTM-JTQLQIEISA-N

MDL Number (MFCD)

MFCD03856029

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

245.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.080

Distribution Coefficient, logD

2.080

Water Solubility, LogSw

-2.30

Polar Surface Area

17.969

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

8015-2136 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 8015-2136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2136?
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What is the minimum amount of 8015-2136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2136
  • 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 8015-2136 available by request