7491-0183 Screening compound: 1-butyl-N-(1-methyl-1H-1,3-benzodiazol-2-yl)-1H-1,3-benzodiazol-2-amine

7491-0183 Screening compound: 1-butyl-N-(1-methyl-1H-1,3-benzodiazol-2-yl)-1H-1,3-benzodiazol-2-amine
7491-0183 Screening compound: 1-butyl-N-(1-methyl-1H-1,3-benzodiazol-2-yl)-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7491-0183
1-butyl-N-(1-methyl-1H-1,3-benzodiazol-2-yl)-1H-1,3-benzodiazol-2-amine

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

7491-0183

Molecular Formula

C19H21N5 (C19 H21 N5)

Compound Name

1-butyl-N-(1-methyl-1H-1,3-benzodiazol-2-yl)-1H-1,3-benzodiazol-2-amine

IUPAC name

1-butyl-N-(1-methyl-1H-13-benzodiazol-2-yl)-1H-13-benzodiazol-2-amine

SMILES

CCCCn1c(Nc2nc(cccc3)c3n2C)nc2c1cccc2

InChI

InChI=1S/C19H21N5/c1-3-4-13-24-17-12-8-6-10-15(17)21-19(24)22-18-20-14-9-5-7-11-16(14)23(18)2/h5-12H,3-4,13H2,1-2H3,(H,20,21,22)

InChI Key

IGMHYWCODVDGSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03783622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.849

Distribution Coefficient, logD

4.831

Water Solubility, LogSw

-4.33

Polar Surface Area

34.155

Acid Dissociation Constant (pKa)

20.05

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

7491-0183 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 7491-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7491-0183?
Check Price and Availability of 7491-0183, 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 7491-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7491-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7491-0183
  • 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 7491-0183 available by request