7695-0983 Screening compound: ethyl 4-(3-hydroxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

7695-0983 Screening compound: ethyl 4-(3-hydroxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
7695-0983 Screening compound: ethyl 4-(3-hydroxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7695-0983
ethyl 4-(3-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

7695-0983

Molecular Formula

C20H19N3O3 (C20 H19 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C1=C(C)Nc2nc(cccc3)c3n2C1c1cc(O)ccc1)=O

InChI

InChI=1S/C20H19N3O3/c1-3-26-19(25)17-12(2)21-20-22-15-9-4-5-10-16(15)23(20)18(17)13-7-6-8-14(24)11-13/h4-11,18,24H,3H2,1-2H3,(H,21,22)/t18-/m0/s1

InChI Key

NYNKGJMRWKVYJQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06193460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.823

Distribution Coefficient, logD

3.812

Water Solubility, LogSw

-3.69

Polar Surface Area

62.405

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

7695-0983 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 7695-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7695-0983?
Check Price and Availability of 7695-0983, 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 7695-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7695-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7695-0983
  • 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 7695-0983 available by request