C202-0125 Screening compound: cyclohexyl 4-(3-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

C202-0125 Screening compound: cyclohexyl 4-(3-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
C202-0125 Screening compound: cyclohexyl 4-(3-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0125
cyclohexyl 4-(3-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

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

C202-0125

Molecular Formula

C24H24FN3O2 (C24 H24 FN3 O2)

Compound Name

cyclohexyl 4-(3-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

cyclohexyl 13-(3-fluorophenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-12-carboxylate

SMILES

CC(Nc1nc(cccc2)c2n1C1c2cccc(F)c2)=C1C(OC1CCCCC1)=O

InChI

InChI=1S/C24H24FN3O2/c1-15-21(23(29)30-18-10-3-2-4-11-18)22(16-8-7-9-17(25)14-16)28-20-13-6-5-12-19(20)27-24(28)26-15/h5-9,12-14,18,22H,2-4,10-11H2,1H3,(H,26,27)/t22-/m0/s1

InChI Key

NVMPOKWJSZWFIF-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14729883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.904

Distribution Coefficient, logD

5.892

Water Solubility, LogSw

-5.42

Polar Surface Area

44.118

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C202-0125 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C202-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0125?
Check Price and Availability of C202-0125, 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 C202-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0125
  • 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 C202-0125 available by request