8538-0011 Screening compound: 9-(4-chlorophenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one

8538-0011 Screening compound: 9-(4-chlorophenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one
8538-0011 Screening compound: 9-(4-chlorophenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8538-0011
9-(4-chlorophenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-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

8538-0011

Molecular Formula

C17H17ClN4O2 (C17 H17 ClN4 O2)

Compound Name

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

IUPAC name

9-(4-chlorophenyl)-1313-dimethyl-5-oxa-2468-tetraazatricyclo[8.4.0.0^{37}]tetradeca-1(10)36-trien-11-one

SMILES

CC(C)(C1)CC(Nc2nonc2NC2c(cc3)ccc3Cl)=C2C1=O

InChI

InChI=1S/C17H17ClN4O2/c1-17(2)7-11-13(12(23)8-17)14(9-3-5-10(18)6-4-9)20-16-15(19-11)21-24-22-16/h3-6,14H,7-8H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1

InChI Key

YESOITNYQCSOMC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08095458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-4.59

Polar Surface Area

73.518

Acid Dissociation Constant (pKa)

5.34

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

8538-0011 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8538-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8538-0011?
Check Price and Availability of 8538-0011, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8538-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8538-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8538-0011
  • 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 8538-0011 available by request