V003-5114 Screening compound: 6-(2,3,4-trimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole

V003-5114 Screening compound: 6-(2,3,4-trimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole
V003-5114 Screening compound: 6-(2,3,4-trimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5114
6-(2,3,4-trimethoxyphenyl)-2-(3,4,5-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

V003-5114

Molecular Formula

C25H25NO7 (C25 H25 NO7)

Compound Name

6-(2,3,4-trimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole

IUPAC name

6-(234-trimethoxyphenyl)-2-(345-trimethoxyphenyl)-13-benzoxazole

SMILES

COc(ccc(-c(cc1)cc2c1nc(-c(cc1OC)cc(OC)c1OC)o2)c1OC)c1OC

InChI

InChI=1S/C25H25NO7/c1-27-18-10-8-16(22(30-4)24(18)32-6)14-7-9-17-19(11-14)33-25(26-17)15-12-20(28-2)23(31-5)21(13-15)29-3/h7-13H,1-6H3

InChI Key

YPWYODPGLSXHSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.63

Polar Surface Area

62.820

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V003-5114 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 V003-5114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5114?
Check Price and Availability of V003-5114, 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 V003-5114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5114
  • 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 V003-5114 available by request