V006-1454 Screening compound: 2-(2H-1,3-BENZODIOXOL-4-YL)-6-(2H-1,3-BENZODIOXOL-5-YL)-1,3-BENZOXAZOLE

V006-1454 Screening compound: 2-(2H-1,3-BENZODIOXOL-4-YL)-6-(2H-1,3-BENZODIOXOL-5-YL)-1,3-BENZOXAZOLE
V006-1454 Screening compound: 2-(2H-1,3-BENZODIOXOL-4-YL)-6-(2H-1,3-BENZODIOXOL-5-YL)-1,3-BENZOXAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1454
2-(2H-1,3-BENZODIOXOL-4-YL)-6-(2H-1,3-BENZODIOXOL-5-YL)-1,3-BENZOXAZOLE

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

V006-1454

Molecular Formula

C21H13NO5 (C21 H13 NO5)

Compound Name

2-(2H-1,3-BENZODIOXOL-4-YL)-6-(2H-1,3-BENZODIOXOL-5-YL)-1,3-BENZOXAZOLE

IUPAC name

n/a

SMILES

C1Oc(cc(cc2)-c(cc3)cc4c3nc(-c3c5OCOc5ccc3)o4)c2O1

InChI

InChI=1S/C21H13NO5/c1-2-14(20-17(3-1)24-11-26-20)21-22-15-6-4-12(8-18(15)27-21)13-5-7-16-19(9-13)25-10-23-16/h1-9H,10-11H2

InChI Key

DPAZCGVTWZHZIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

5.162

Water Solubility, LogSw

-5.49

Polar Surface Area

50.692

Acid Dissociation Constant (pKa)

37.44

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V006-1454 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V006-1454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1454?
Check Price and Availability of V006-1454, 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 V006-1454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1454
  • 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 V006-1454 available by request