8012-7628 Screening compound: 1-bromo-5,11,11,11a-tetramethyl-6,7,11,11a-tetrahydro-4H-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol-9-one

8012-7628 Screening compound: 1-bromo-5,11,11,11a-tetramethyl-6,7,11,11a-tetrahydro-4H-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol-9-one
8012-7628 Screening compound: 1-bromo-5,11,11,11a-tetramethyl-6,7,11,11a-tetrahydro-4H-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7628
1-bromo-5,11,11,11a-tetramethyl-6,7,11,11a-tetrahydro-4H-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol-9-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

8012-7628

Molecular Formula

C17H19BrN2O2 (C17 H19 BrN2 O2)

Compound Name

1-bromo-5,11,11,11a-tetramethyl-6,7,11,11a-tetrahydro-4H-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol-9-one

IUPAC name

15-bromo-23310-tetramethyl-4-oxa-611-diazatetracyclo[7.6.1.0^{26}.0^{1216}]hexadeca-1(16)91214-tetraen-5-one

SMILES

CC(C)(C1(C)N2CCc3c(C)[nH]c(cc4)c3c1c4Br)OC2=O

InChI

InChI=1S/C17H19BrN2O2/c1-9-10-7-8-20-15(21)22-16(2,3)17(20,4)14-11(18)5-6-12(19-9)13(10)14/h5-6,19H,7-8H2,1-4H3/t17-/m1/s1

InChI Key

BEUNIKGKKZYPHG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03134104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

4.269

Water Solubility, LogSw

-4.69

Polar Surface Area

33.898

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

8012-7628 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-7628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7628?
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What is the minimum amount of 8012-7628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7628
  • 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 8012-7628 available by request