7695-0996 Screening compound: ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

7695-0996 Screening compound: ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
7695-0996 Screening compound: ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7695-0996
ethyl 4-(3-ethoxy-4-hydroxyphenyl)-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

7695-0996

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

ethyl 13-(3-ethoxy-4-hydroxyphenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxylate

SMILES

CCOC(C1=C(C)Nc2nc(cccc3)c3n2C1c(cc1)cc(OCC)c1O)=O

InChI

InChI=1S/C22H23N3O4/c1-4-28-18-12-14(10-11-17(18)26)20-19(21(27)29-5-2)13(3)23-22-24-15-8-6-7-9-16(15)25(20)22/h6-12,20,26H,4-5H2,1-3H3,(H,23,24)/t20-/m0/s1

InChI Key

IGIQZJHDBBFQNA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06193471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.025

Distribution Coefficient, logD

4.013

Water Solubility, LogSw

-3.68

Polar Surface Area

68.546

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

7695-0996 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 7695-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7695-0996?
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What is the minimum amount of 7695-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7695-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7695-0996
  • 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 7695-0996 available by request