K894-0877 Screening compound: 8-[1-(4-ethoxyphenyl)-2-methyl-1H-1,3-benzodiazole-5-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

K894-0877 Screening compound: 8-[1-(4-ethoxyphenyl)-2-methyl-1H-1,3-benzodiazole-5-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
K894-0877 Screening compound: 8-[1-(4-ethoxyphenyl)-2-methyl-1H-1,3-benzodiazole-5-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound K894-0877
8-[1-(4-ethoxyphenyl)-2-methyl-1H-1,3-benzodiazole-5-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

K894-0877

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

8-[1-(4-ethoxyphenyl)-2-methyl-1H-1,3-benzodiazole-5-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[1-(4-ethoxyphenyl)-2-methyl-1H-13-benzodiazole-5-carbonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

CCOc(cc1)ccc1-n1c(ccc(C(N(CC2)CCC22OCCO2)=O)c2)c2nc1C

InChI

InChI=1S/C24H27N3O4/c1-3-29-20-7-5-19(6-8-20)27-17(2)25-21-16-18(4-9-22(21)27)23(28)26-12-10-24(11-13-26)30-14-15-31-24/h4-9,16H,3,10-15H2,1-2H3

InChI Key

QXKVBPBPCXXXHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04422282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.561

Distribution Coefficient, logD

2.503

Water Solubility, LogSw

-2.82

Polar Surface Area

49.896

Acid Dissociation Constant (pKa)

27.30

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

K894-0877 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K894-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K894-0877?
Check Price and Availability of K894-0877, 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 K894-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K894-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K894-0877
  • 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 K894-0877 available by request