8010-7216 Screening compound: 10a-[(1E)-2-(3-bromophenyl)ethenyl]-10,10-dimethyl-1H,2H,3H,4H,10H,10aH-pyrimido[1,2-a]indol-2-one

8010-7216 Screening compound: 10a-[(1E)-2-(3-bromophenyl)ethenyl]-10,10-dimethyl-1H,2H,3H,4H,10H,10aH-pyrimido[1,2-a]indol-2-one
8010-7216 Screening compound: 10a-[(1E)-2-(3-bromophenyl)ethenyl]-10,10-dimethyl-1H,2H,3H,4H,10H,10aH-pyrimido[1,2-a]indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7216
10a-[(1E)-2-(3-bromophenyl)ethenyl]-10,10-dimethyl-1H,2H,3H,4H,10H,10aH-pyrimido[1,2-a]indol-2-one

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

8010-7216

Molecular Formula

C21H21BrN2O (C21 H21 BrN2 O)

Compound Name

10a-[(1E)-2-(3-bromophenyl)ethenyl]-10,10-dimethyl-1H,2H,3H,4H,10H,10aH-pyrimido[1,2-a]indol-2-one

IUPAC name

10a-[(1E)-2-(3-bromophenyl)ethenyl]-1010-dimethyl-1H2H3H4H10H10aH-pyrimido[12-a]indol-2-one

SMILES

CC1(C)c(cccc2)c2N(CC2)C1(/C=C/c1cccc(Br)c1)NC2=O

InChI

InChI=1S/C21H21BrN2O/c1-20(2)17-8-3-4-9-18(17)24-13-11-19(25)23-21(20,24)12-10-15-6-5-7-16(22)14-15/h3-10,12,14H,11,13H2,1-2H3,(H,23,25)/t21-/m1/s1

InChI Key

GXLPEZRILPACRN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02066620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

5.211

Water Solubility, LogSw

-5.01

Polar Surface Area

28.333

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8010-7216 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-7216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7216?
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What is the minimum amount of 8010-7216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7216
  • 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 8010-7216 available by request