4035-0048 Screening compound: 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole

4035-0048 Screening compound: 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole
4035-0048 Screening compound: 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4035-0048
4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,4-dihydropyrimido[1,2-a][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

4035-0048

Molecular Formula

C22H15ClFN3 (C22 H15 ClFN3)

Compound Name

4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole

IUPAC name

13-(4-chlorophenyl)-11-(4-fluorophenyl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene

SMILES

Fc(cc1)ccc1C(N1)=CC(c(cc2)ccc2Cl)n2c1nc1c2cccc1

InChI

InChI=1S/C22H15ClFN3/c23-16-9-5-15(6-10-16)21-13-19(14-7-11-17(24)12-8-14)26-22-25-18-3-1-2-4-20(18)27(21)22/h1-13,21H,(H,25,26)/t21-/m0/s1

InChI Key

HEVBIKXQYWRLKO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02929023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.83

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.159

Distribution Coefficient, logD

6.158

Water Solubility, LogSw

-6.75

Polar Surface Area

24.644

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.50

4035-0048 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4035-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4035-0048?
Check Price and Availability of 4035-0048, 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 4035-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4035-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4035-0048
  • 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 4035-0048 available by request