K786-0794 Screening compound: ethyl 4-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-3-methyl-1-benzofuran-2-carbonyl)piperazine-1-carboxylate

K786-0794 Screening compound: ethyl 4-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-3-methyl-1-benzofuran-2-carbonyl)piperazine-1-carboxylate
K786-0794 Screening compound: ethyl 4-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-3-methyl-1-benzofuran-2-carbonyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0794
ethyl 4-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-3-methyl-1-benzofuran-2-carbonyl)piperazine-1-carboxylate

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

K786-0794

Molecular Formula

C24H31N3O8S (C24 H31 N3 O8 S)

Compound Name

ethyl 4-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-3-methyl-1-benzofuran-2-carbonyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(5-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-3-methyl-1-benzofuran-2-carbonyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1c(C)c(cc(cc2)S(N(CC3)CCC33OCCO3)(=O)=O)c2o1)=O)=O

InChI

InChI=1S/C24H31N3O8S/c1-3-32-23(29)26-12-10-25(11-13-26)22(28)21-17(2)19-16-18(4-5-20(19)35-21)36(30,31)27-8-6-24(7-9-27)33-14-15-34-24/h4-5,16H,3,6-15H2,1-2H3

InChI Key

DHPFIWYOCMCSIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.559

Distribution Coefficient, logD

2.559

Water Solubility, LogSw

-2.75

Polar Surface Area

94.341

Acid Dissociation Constant (pKa)

27.46

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

References: we are preparing a list of scientific research reports with K786-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0794?
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What is the minimum amount of K786-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0794
  • 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 K786-0794 available by request