C202-0935 Screening compound: {4-[5-bromo-2-(difluoromethoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl}(morpholino)methanone

C202-0935 Screening compound: {4-[5-bromo-2-(difluoromethoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl}(morpholino)methanone
C202-0935 Screening compound: {4-[5-bromo-2-(difluoromethoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl}(morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0935
{4-[5-bromo-2-(difluoromethoxy)phenyl]-2-methyl-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

C202-0935

Molecular Formula

C23H21BrF2N4O3 (C23 H21 BrF2 N4 O3)

Compound Name

{4-[5-bromo-2-(difluoromethoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl}(morpholino)methanone

IUPAC name

13-[5-bromo-2-(difluoromethoxy)phenyl]-11-methyl-12-(morpholine-4-carbonyl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene

SMILES

CC(Nc1nc(cccc2)c2n1C1c(cc(cc2)Br)c2OC(F)F)=C1C(N1CCOCC1)=O

InChI

InChI=1S/C23H21BrF2N4O3/c1-13-19(21(31)29-8-10-32-11-9-29)20(15-12-14(24)6-7-18(15)33-22(25)26)30-17-5-3-2-4-16(17)28-23(30)27-13/h2-7,12,20,22H,8-11H2,1H3,(H,27,28)/t20-/m0/s1

InChI Key

RRBZTJZWXGPISH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14730225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.073

Distribution Coefficient, logD

4.071

Water Solubility, LogSw

-4.08

Polar Surface Area

55.283

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

C202-0935 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C202-0935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0935?
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What is the minimum amount of C202-0935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0935
  • 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 C202-0935 available by request