C202-0776 Screening compound: pentyl 4-[5-bromo-2-(difluoromethoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

C202-0776 Screening compound: pentyl 4-[5-bromo-2-(difluoromethoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
C202-0776 Screening compound: pentyl 4-[5-bromo-2-(difluoromethoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0776
pentyl 4-[5-bromo-2-(difluoromethoxy)phenyl]-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

C202-0776

Molecular Formula

C24H24BrF2N3O3 (C24 H24 BrF2 N3 O3)

Compound Name

pentyl 4-[5-bromo-2-(difluoromethoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

pentyl 13-[5-bromo-2-(difluoromethoxy)phenyl]-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-12-carboxylate

SMILES

CCCCCOC(C1=C(C)Nc2nc(cccc3)c3n2C1c(cc(cc1)Br)c1OC(F)F)=O

InChI

InChI=1S/C24H24BrF2N3O3/c1-3-4-7-12-32-22(31)20-14(2)28-24-29-17-8-5-6-9-18(17)30(24)21(20)16-13-15(25)10-11-19(16)33-23(26)27/h5-6,8-11,13,21,23H,3-4,7,12H2,1-2H3,(H,28,29)/t21-/m0/s1

InChI Key

XAROPNQJFXQORX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14730159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.750

Distribution Coefficient, logD

6.738

Water Solubility, LogSw

-5.45

Polar Surface Area

51.774

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C202-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0776?
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What is the minimum amount of C202-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0776
  • 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 C202-0776 available by request