K788-0226 Screening compound: 3-(3,4-dichlorophenyl)-1-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-1-[2-(morpholin-4-yl)ethyl]urea

K788-0226 Screening compound: 3-(3,4-dichlorophenyl)-1-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-1-[2-(morpholin-4-yl)ethyl]urea
K788-0226 Screening compound: 3-(3,4-dichlorophenyl)-1-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-1-[2-(morpholin-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0226
3-(3,4-dichlorophenyl)-1-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-1-[2-(morpholin-4-yl)ethyl]urea

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

K788-0226

Molecular Formula

C26H33Cl2N3O4 (C26 H33 Cl2 N3 O4)

Compound Name

3-(3,4-dichlorophenyl)-1-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-1-[2-(morpholin-4-yl)ethyl]urea

IUPAC name

3-(34-dichlorophenyl)-1-(6-ethoxy-22-dimethyl-34-dihydro-2H-1-benzopyran-4-yl)-1-[2-(morpholin-4-yl)ethyl]urea

SMILES

CCOc(cc1)cc2c1OC(C)(C)CC2N(CCN1CCOCC1)C(Nc(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C26H33Cl2N3O4/c1-4-34-19-6-8-24-20(16-19)23(17-26(2,3)35-24)31(10-9-30-11-13-33-14-12-30)25(32)29-18-5-7-21(27)22(28)15-18/h5-8,15-16,23H,4,9-14,17H2,1-3H3,(H,29,32)/t23-/m0/s1

InChI Key

PDPPICJRMVZCSG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03834097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.508

Distribution Coefficient, logD

5.278

Water Solubility, LogSw

-5.93

Polar Surface Area

48.842

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K788-0226 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with K788-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0226?
Check Price and Availability of K788-0226, 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 K788-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0226
  • 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 K788-0226 available by request