8018-3577 Screening compound: 2-methyl-N~3~-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

8018-3577 Screening compound: 2-methyl-N~3~-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
8018-3577 Screening compound: 2-methyl-N~3~-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3577
2-methyl-N~3~-phenyl-4-(3,4,5-trimethoxyphenyl)-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

8018-3577

Molecular Formula

C27H26N4O4 (C27 H26 N4 O4)

Compound Name

2-methyl-N~3~-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

IUPAC name

11-methyl-N-phenyl-13-(345-trimethoxyphenyl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxamide

SMILES

CC(Nc1nc(cccc2)c2n1C1c(cc2OC)cc(OC)c2OC)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C27H26N4O4/c1-16-23(26(32)29-18-10-6-5-7-11-18)24(17-14-21(33-2)25(35-4)22(15-17)34-3)31-20-13-9-8-12-19(20)30-27(31)28-16/h5-15,24H,1-4H3,(H,28,30)(H,29,32)/t24-/m0/s1

InChI Key

WYTJDSUUJKDWBW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD07065484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.469

Distribution Coefficient, logD

4.469

Water Solubility, LogSw

-4.43

Polar Surface Area

70.103

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

8018-3577 in Drug Discovery

Included in Screening Libraries

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 8018-3577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3577?
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What is the minimum amount of 8018-3577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3577
  • 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 8018-3577 available by request