8015-0917 Screening compound: 4-(3-bromo-4-butoxy-5-ethoxyphenyl)-N~3~-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

8015-0917 Screening compound: 4-(3-bromo-4-butoxy-5-ethoxyphenyl)-N~3~-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
8015-0917 Screening compound: 4-(3-bromo-4-butoxy-5-ethoxyphenyl)-N~3~-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0917
4-(3-bromo-4-butoxy-5-ethoxyphenyl)-N~3~-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

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

8015-0917

Molecular Formula

C32H35BrN4O3 (C32 H35 BrN4 O3)

Compound Name

4-(3-bromo-4-butoxy-5-ethoxyphenyl)-N~3~-(2,4-dimethylphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

IUPAC name

13-(3-bromo-4-butoxy-5-ethoxyphenyl)-N-(24-dimethylphenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxamide

SMILES

CCCCOc(c(OCC)cc(C(C(C(Nc1c(C)cc(C)cc1)=O)=C(C)N1)n2c1nc1c2cccc1)c1)c1Br

InChI

InChI=1S/C32H35BrN4O3/c1-6-8-15-40-30-23(33)17-22(18-27(30)39-7-2)29-28(31(38)35-24-14-13-19(3)16-20(24)4)21(5)34-32-36-25-11-9-10-12-26(25)37(29)32/h9-14,16-18,29H,6-8,15H2,1-5H3,(H,34,36)(H,35,38)/t29-/m0/s1

InChI Key

VUBGLMBZNBVEDY-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD03855415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.760

Distribution Coefficient, logD

7.760

Water Solubility, LogSw

-5.49

Polar Surface Area

61.229

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

8015-0917 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8015-0917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0917?
Check Price and Availability of 8015-0917, 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 8015-0917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0917
  • 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 8015-0917 available by request