C202-0624 Screening compound: heptyl 2-methyl-4-(2-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

C202-0624 Screening compound: heptyl 2-methyl-4-(2-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
C202-0624 Screening compound: heptyl 2-methyl-4-(2-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0624
heptyl 2-methyl-4-(2-nitrophenyl)-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

C202-0624

Molecular Formula

C25H28N4O4 (C25 H28 N4 O4)

Compound Name

heptyl 2-methyl-4-(2-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

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

SMILES

CCCCCCCOC(C1=C(C)Nc2nc(cccc3)c3n2C1c(cccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C25H28N4O4/c1-3-4-5-6-11-16-33-24(30)22-17(2)26-25-27-19-13-8-10-15-21(19)28(25)23(22)18-12-7-9-14-20(18)29(31)32/h7-10,12-15,23H,3-6,11,16H2,1-2H3,(H,26,27)/t23-/m0/s1

InChI Key

GGPNJRMHXXUPKQ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14730099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.606

Distribution Coefficient, logD

6.594

Water Solubility, LogSw

-5.67

Polar Surface Area

78.162

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C202-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0624?
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What is the minimum amount of C202-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0624
  • 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 C202-0624 available by request