C202-0940 Screening compound: [2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](morpholino)methanone

C202-0940 Screening compound: [2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](morpholino)methanone
C202-0940 Screening compound: [2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0940
[2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](morpholino)methanone

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

C202-0940

Molecular Formula

C22H21N5O4 (C22 H21 N5 O4)

Compound Name

[2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl](morpholino)methanone

IUPAC name

11-methyl-12-(morpholine-4-carbonyl)-13-(4-nitrophenyl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene

SMILES

CC(Nc1nc(cccc2)c2n1C1c(cc2)ccc2[N+]([O-])=O)=C1C(N1CCOCC1)=O

InChI

InChI=1S/C22H21N5O4/c1-14-19(21(28)25-10-12-31-13-11-25)20(15-6-8-16(9-7-15)27(29)30)26-18-5-3-2-4-17(18)24-22(26)23-14/h2-9,20H,10-13H2,1H3,(H,23,24)/t20-/m0/s1

InChI Key

NQVLEKWQIBKXCE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14730228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

3.042

Water Solubility, LogSw

-3.29

Polar Surface Area

81.972

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C202-0940 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C202-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0940?
Check Price and Availability of C202-0940, 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 C202-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0940
  • 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 C202-0940 available by request