8020-1015 Screening compound: 1-[4-(3-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]-1-ethanone

8020-1015 Screening compound: 1-[4-(3-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]-1-ethanone
8020-1015 Screening compound: 1-[4-(3-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1015
1-[4-(3-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]-1-ethanone

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

8020-1015

Molecular Formula

C19H16BrN3O (C19 H16 BrN3 O)

Compound Name

1-[4-(3-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]-1-ethanone

IUPAC name

1-[13-(3-bromophenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaen-12-yl]ethan-1-one

SMILES

CC(C1=C(C)Nc2nc(cccc3)c3n2C1c1cccc(Br)c1)=O

InChI

InChI=1S/C19H16BrN3O/c1-11-17(12(2)24)18(13-6-5-7-14(20)10-13)23-16-9-4-3-8-15(16)22-19(23)21-11/h3-10,18H,1-2H3,(H,21,22)/t18-/m0/s1

InChI Key

UHMNBZNTNZPTJZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09784759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.496

Distribution Coefficient, logD

4.493

Water Solubility, LogSw

-4.40

Polar Surface Area

37.861

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8020-1015 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-1015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1015?
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What is the minimum amount of 8020-1015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1015
  • 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 8020-1015 available by request