8011-8040 Screening compound: 4-(DIBENZO[B

8011-8040 Screening compound: 4-(DIBENZO[B
8011-8040 Screening compound: 4-(DIBENZO[B alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8040
4-(DIBENZO[B

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

8011-8040

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

4-(DIBENZO[B

IUPAC name

n/a

SMILES

CCN(CC)C(N(CC1)CCN1S(c(cc1)cc2c1oc1c2cccc1)(=O)=O)=O

InChI

InChI=1S/C21H25N3O4S/c1-3-22(4-2)21(25)23-11-13-24(14-12-23)29(26,27)16-9-10-20-18(15-16)17-7-5-6-8-19(17)28-20/h5-10,15H,3-4,11-14H2,1-2H3

InChI Key

BXRKONAQXFQSAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

4.221

Water Solubility, LogSw

-4.10

Polar Surface Area

57.410

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

8011-8040 in Drug Discovery

Included in Screening Libraries

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

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-8040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8040?
Check Price and Availability of 8011-8040, 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 8011-8040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8040
  • 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 8011-8040 available by request