V008-3878 Screening compound: 2-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole

V008-3878 Screening compound: 2-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole
V008-3878 Screening compound: 2-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3878
2-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-(2,3,4-trimethoxyphenyl)-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

V008-3878

Molecular Formula

C23H18BrNO6 (C23 H18 BrNO6)

Compound Name

2-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole

IUPAC name

2-(6-bromo-2H-13-benzodioxol-5-yl)-6-(234-trimethoxyphenyl)-13-benzoxazole

SMILES

COc(ccc(-c(cc1)cc2c1nc(-c(cc1OCOc1c1)c1Br)o2)c1OC)c1OC

InChI

InChI=1S/C23H18BrNO6/c1-26-17-7-5-13(21(27-2)22(17)28-3)12-4-6-16-18(8-12)31-23(25-16)14-9-19-20(10-15(14)24)30-11-29-19/h4-10H,11H2,1-3H3

InChI Key

NUQJQJHIYYMDGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.833

Distribution Coefficient, logD

5.833

Water Solubility, LogSw

-5.71

Polar Surface Area

56.957

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

V008-3878 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V008-3878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3878?
Check Price and Availability of V008-3878, 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 V008-3878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3878
  • 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 V008-3878 available by request