8015-0909 Screening compound: [4-(3-bromo-5-ethoxy-4-isopropoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](phenyl)methanone

8015-0909 Screening compound: [4-(3-bromo-5-ethoxy-4-isopropoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](phenyl)methanone
8015-0909 Screening compound: [4-(3-bromo-5-ethoxy-4-isopropoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0909
[4-(3-bromo-5-ethoxy-4-isopropoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](phenyl)methanone

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

8015-0909

Molecular Formula

C29H28BrN3O3 (C29 H28 BrN3 O3)

Compound Name

[4-(3-bromo-5-ethoxy-4-isopropoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](phenyl)methanone

IUPAC name

12-benzoyl-13-[3-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene

SMILES

CCOc1cc(C(C(C(c2ccccc2)=O)=C(C)N2)n3c2nc2c3cccc2)cc(Br)c1OC(C)C

InChI

InChI=1S/C29H28BrN3O3/c1-5-35-24-16-20(15-21(30)28(24)36-17(2)3)26-25(27(34)19-11-7-6-8-12-19)18(4)31-29-32-22-13-9-10-14-23(22)33(26)29/h6-17,26H,5H2,1-4H3,(H,31,32)/t26-/m0/s1

InChI Key

AFWXNDXHJUMHRJ-SANMLTNESA-N

MDL Number (MFCD)

MFCD03855407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.736

Distribution Coefficient, logD

6.736

Water Solubility, LogSw

-5.57

Polar Surface Area

51.687

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.14

References: we are preparing a list of scientific research reports with 8015-0909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0909?
Check Price and Availability of 8015-0909, 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 8015-0909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0909
  • 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 8015-0909 available by request