V014-6547 Screening compound: 2-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-benzoxazole

V014-6547 Screening compound: 2-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-benzoxazole
V014-6547 Screening compound: 2-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-6547
2-(1,3-benzodioxol-5-yl)-5,7-dimethyl-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

V014-6547

Molecular Formula

C16H13NO3 (C16 H13 NO3)

Compound Name

2-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-benzoxazole

IUPAC name

2-(2H-13-benzodioxol-5-yl)-57-dimethyl-13-benzoxazole

SMILES

Cc1cc(C)c2oc(-c(cc3)cc4c3OCO4)nc2c1

InChI

InChI=1S/C16H13NO3/c1-9-5-10(2)15-12(6-9)17-16(20-15)11-3-4-13-14(7-11)19-8-18-13/h3-7H,8H2,1-2H3

InChI Key

AQHLDXLNNLWLCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951255

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

267.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.277

Distribution Coefficient, logD

4.277

Water Solubility, LogSw

-4.42

Polar Surface Area

34.397

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with V014-6547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-6547?
Check Price and Availability of V014-6547, 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 V014-6547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-6547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-6547
  • 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 V014-6547 available by request