2545-2100 Screening compound: 2-benzyl-1-(4-chloroanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

2545-2100 Screening compound: 2-benzyl-1-(4-chloroanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
2545-2100 Screening compound: 2-benzyl-1-(4-chloroanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2545-2100
2-benzyl-1-(4-chloroanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

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

2545-2100

Molecular Formula

C26H19ClN4 (C26 H19 ClN4)

Compound Name

2-benzyl-1-(4-chloroanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-benzyl-13-[(4-chlorophenyl)amino]-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(Cc1ccccc1)c(Nc(cc1)ccc1Cl)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C26H19ClN4/c1-17-21(15-18-7-3-2-4-8-18)25(29-20-13-11-19(27)12-14-20)31-24-10-6-5-9-23(24)30-26(31)22(17)16-28/h2-14,29H,15H2,1H3

InChI Key

NMCKDWHSJLMDCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.92

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.163

Distribution Coefficient, logD

7.163

Water Solubility, LogSw

-6.67

Polar Surface Area

33.421

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

2545-2100 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2545-2100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2545-2100?
Check Price and Availability of 2545-2100, 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 2545-2100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2545-2100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2545-2100
  • 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 2545-2100 available by request