8018-9086 Screening compound: 10-(4-chlorophenyl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-one

8018-9086 Screening compound: 10-(4-chlorophenyl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-one
8018-9086 Screening compound: 10-(4-chlorophenyl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9086
10-(4-chlorophenyl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-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

8018-9086

Molecular Formula

C20H20ClN3O (C20 H20 ClN3 O)

Compound Name

10-(4-chlorophenyl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-one

IUPAC name

10-(4-chlorophenyl)-1414-dimethyl-279-triazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc2cccnc2NC2c(cc3)ccc3Cl)=C2C1=O

InChI

InChI=1S/C20H20ClN3O/c1-20(2)10-15-17(16(25)11-20)18(12-5-7-13(21)8-6-12)24-19-14(23-15)4-3-9-22-19/h3-9,18,23H,10-11H2,1-2H3,(H,22,24)/t18-/m0/s1

InChI Key

DKKGFEVSGMVPOR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08547722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.66

Polar Surface Area

46.372

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8018-9086 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-9086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9086?
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What is the minimum amount of 8018-9086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9086
  • 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 8018-9086 available by request