4038-0007 Screening compound: 10-hexanoyl-3-phenyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

4038-0007 Screening compound: 10-hexanoyl-3-phenyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
4038-0007 Screening compound: 10-hexanoyl-3-phenyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4038-0007
10-hexanoyl-3-phenyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-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

4038-0007

Molecular Formula

C29H30N2O2S (C29 H30 N2 O2 S)

Compound Name

10-hexanoyl-3-phenyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

9-hexanoyl-14-phenyl-10-(thiophen-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCCCCC(N(C1c2cccs2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C29H30N2O2S/c1-2-3-5-16-27(33)31-24-14-9-8-13-22(24)30-23-18-21(20-11-6-4-7-12-20)19-25(32)28(23)29(31)26-15-10-17-34-26/h4,6-15,17,21,29-30H,2-3,5,16,18-19H2,1H3

InChI Key

LYWQNZVLCGBJLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02375467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.862

Distribution Coefficient, logD

6.410

Water Solubility, LogSw

-5.63

Polar Surface Area

39.656

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

4038-0007 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4038-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4038-0007?
Check Price and Availability of 4038-0007, 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 4038-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4038-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4038-0007
  • 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 4038-0007 available by request