6023-0011 Screening compound: (5-nitro-1H-1,3-benzimidazol-2-yl)methyl [1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl sulfide

6023-0011 Screening compound: (5-nitro-1H-1,3-benzimidazol-2-yl)methyl [1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl sulfide
6023-0011 Screening compound: (5-nitro-1H-1,3-benzimidazol-2-yl)methyl [1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6023-0011
(5-nitro-1H-1,3-benzimidazol-2-yl)methyl [1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl sulfide

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

6023-0011

Molecular Formula

C16H10N6O2S2 (C16 H10 N6 O2 S2)

Compound Name

(5-nitro-1H-1,3-benzimidazol-2-yl)methyl [1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl sulfide

IUPAC name

3-{[(5-nitro-1H-13-benzodiazol-2-yl)methyl]sulfanyl}-7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene

SMILES

[O-][N+](c(cc1)cc2c1[nH]c(CSc1nnc3sc(cccc4)c4n13)n2)=O

InChI

InChI=1S/C16H10N6O2S2/c23-22(24)9-5-6-10-11(7-9)18-14(17-10)8-25-15-19-20-16-21(15)12-3-1-2-4-13(12)26-16/h1-7H,8H2,(H,17,18)

InChI Key

KJDIQVIOJNWPSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03924459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.890

Water Solubility, LogSw

-4.20

Polar Surface Area

75.970

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 6023-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6023-0011?
Check Price and Availability of 6023-0011, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6023-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6023-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6023-0011
  • 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 6023-0011 available by request