8016-9586 Screening compound: isopropyl 4-[4-(dimethylamino)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

8016-9586 Screening compound: isopropyl 4-[4-(dimethylamino)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
8016-9586 Screening compound: isopropyl 4-[4-(dimethylamino)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9586
isopropyl 4-[4-(dimethylamino)phenyl]-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

8016-9586

Molecular Formula

C23H26N4O2 (C23 H26 N4 O2)

Compound Name

isopropyl 4-[4-(dimethylamino)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

propan-2-yl 13-[4-(dimethylamino)phenyl]-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxylate

SMILES

CC(C)OC(C1=C(C)Nc2nc(cccc3)c3n2C1c(cc1)ccc1N(C)C)=O

InChI

InChI=1S/C23H26N4O2/c1-14(2)29-22(28)20-15(3)24-23-25-18-8-6-7-9-19(18)27(23)21(20)16-10-12-17(13-11-16)26(4)5/h6-14,21H,1-5H3,(H,24,25)/t21-/m0/s1

InChI Key

SOBQPAGCHSUXSI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05860584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.796

Distribution Coefficient, logD

4.770

Water Solubility, LogSw

-4.54

Polar Surface Area

47.272

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8016-9586 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8016-9586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9586?
Check Price and Availability of 8016-9586, 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 8016-9586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9586
  • 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 8016-9586 available by request