C202-1279 Screening compound: butyl 4-(2,4-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

C202-1279 Screening compound: butyl 4-(2,4-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
C202-1279 Screening compound: butyl 4-(2,4-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1279
butyl 4-(2,4-dimethoxyphenyl)-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

C202-1279

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

butyl 4-(2,4-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

butyl 13-(24-dimethoxyphenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-12-carboxylate

SMILES

CCCCOC(C1=C(C)Nc2nc(cccc3)c3n2C1c(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C24H27N3O4/c1-5-6-13-31-23(28)21-15(2)25-24-26-18-9-7-8-10-19(18)27(24)22(21)17-12-11-16(29-3)14-20(17)30-4/h7-12,14,22H,5-6,13H2,1-4H3,(H,25,26)/t22-/m0/s1

InChI Key

HEOADDKHPPKNJQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14730390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.319

Water Solubility, LogSw

-5.18

Polar Surface Area

60.256

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C202-1279 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C202-1279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1279?
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What is the minimum amount of C202-1279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1279
  • 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 C202-1279 available by request