4327-3419 Screening compound: 2-{[(6-BROMO-1H-1,3-BENZIMIDAZOL-2-YL)SULFANYL]METHYL}-1-METHYL-1H-1,3-BENZIMIDAZOLE

4327-3419 Screening compound: 2-{[(6-BROMO-1H-1,3-BENZIMIDAZOL-2-YL)SULFANYL]METHYL}-1-METHYL-1H-1,3-BENZIMIDAZOLE
4327-3419 Screening compound: 2-{[(6-BROMO-1H-1,3-BENZIMIDAZOL-2-YL)SULFANYL]METHYL}-1-METHYL-1H-1,3-BENZIMIDAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-3419
2-{[(6-BROMO-1H-1,3-BENZIMIDAZOL-2-YL)SULFANYL]METHYL}-1-METHYL-1H-1,3-BENZIMIDAZOLE

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

4327-3419

Molecular Formula

C16H13BrN4S (C16 H13 BrN4 S)

Compound Name

2-{[(6-BROMO-1H-1,3-BENZIMIDAZOL-2-YL)SULFANYL]METHYL}-1-METHYL-1H-1,3-BENZIMIDAZOLE

IUPAC name

n/a

SMILES

Cn1c(cccc2)c2nc1CSc1nc(ccc(Br)c2)c2[nH]1

InChI

InChI=1S/C16H13BrN4S/c1-21-14-5-3-2-4-12(14)18-15(21)9-22-16-19-11-7-6-10(17)8-13(11)20-16/h2-8H,9H2,1H3,(H,19,20)

InChI Key

WUNJIISHOMYHOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01141669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

3.805

Water Solubility, LogSw

-4.19

Polar Surface Area

29.966

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.00

4327-3419 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4327-3419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-3419?
Check Price and Availability of 4327-3419, 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 4327-3419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-3419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-3419
  • 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 4327-3419 available by request