K915-1331 Screening compound: 2-[6-(2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol

K915-1331 Screening compound: 2-[6-(2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
K915-1331 Screening compound: 2-[6-(2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound K915-1331
2-[6-(2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol

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

K915-1331

Molecular Formula

C26H23F3N2O4 (C26 H23 F3 N2 O4)

Compound Name

2-[6-(2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyrimidin-4-yl]-6-ethoxyphenol

IUPAC name

2-[6-(2H-13-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]-2345-tetrahydropyrimidin-4-yl]-6-ethoxyphenol

SMILES

CCOc1cccc(C(C2)NC(c3ccc(C(F)(F)F)cc3)N=C2c(cc2)cc3c2OCO3)c1O

InChI

InChI=1S/C26H23F3N2O4/c1-2-33-22-5-3-4-18(24(22)32)20-13-19(16-8-11-21-23(12-16)35-14-34-21)30-25(31-20)15-6-9-17(10-7-15)26(27,28)29/h3-12,20,25,31-32H,2,13-14H2,1H3

InChI Key

VPVWWYFEBJMXJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.080

Distribution Coefficient, logD

5.188

Water Solubility, LogSw

-5.65

Polar Surface Area

60.419

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

8.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.90

K915-1331 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with K915-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K915-1331?
Check Price and Availability of K915-1331, 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 K915-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K915-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K915-1331
  • 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 K915-1331 available by request