C552-0038 Screening compound: 4-methoxybenzyl 4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

C552-0038 Screening compound: 4-methoxybenzyl 4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
C552-0038 Screening compound: 4-methoxybenzyl 4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C552-0038
4-methoxybenzyl 4-(4-bromophenyl)-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

C552-0038

Molecular Formula

C26H22BrN3O3 (C26 H22 BrN3 O3)

Compound Name

4-methoxybenzyl 4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

(4-methoxyphenyl)methyl 13-(4-bromophenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-12-carboxylate

SMILES

CC(Nc1nc(cccc2)c2n1C1c(cc2)ccc2Br)=C1C(OCc(cc1)ccc1OC)=O

InChI

InChI=1S/C26H22BrN3O3/c1-16-23(25(31)33-15-17-7-13-20(32-2)14-8-17)24(18-9-11-19(27)12-10-18)30-22-6-4-3-5-21(22)29-26(30)28-16/h3-14,24H,15H2,1-2H3,(H,28,29)/t24-/m0/s1

InChI Key

VZFMOTKICYAYDR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14770124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.151

Distribution Coefficient, logD

6.144

Water Solubility, LogSw

-5.68

Polar Surface Area

52.435

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

C552-0038 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C552-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C552-0038?
Check Price and Availability of C552-0038, 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 C552-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C552-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C552-0038
  • 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 C552-0038 available by request