K915-0680 Screening compound: 2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol

K915-0680 Screening compound: 2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol
K915-0680 Screening compound: 2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound K915-0680
2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol

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

K915-0680

Molecular Formula

C23H18BrClN2O3 (C23 H18 BrClN2 O3)

Compound Name

2-[6-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]-4-bromophenol

IUPAC name

2-[6-(2H-13-benzodioxol-5-yl)-2-(4-chlorophenyl)-2345-tetrahydropyrimidin-4-yl]-4-bromophenol

SMILES

Oc(cc1)c(C(C2)NC(c(cc3)ccc3Cl)N=C2c(cc2)cc3c2OCO3)cc1Br

InChI

InChI=1S/C23H18BrClN2O3/c24-15-4-7-20(28)17(10-15)19-11-18(14-3-8-21-22(9-14)30-12-29-21)26-23(27-19)13-1-5-16(25)6-2-13/h1-10,19,23,27-28H,11-12H2

InChI Key

XJZQWPTWBNHXFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.164

Distribution Coefficient, logD

5.914

Water Solubility, LogSw

-6.26

Polar Surface Area

54.277

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

K915-0680 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K915-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K915-0680?
Check Price and Availability of K915-0680, 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 K915-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K915-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K915-0680
  • 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 K915-0680 available by request