K807-1283 Screening compound: 4-(4-{[(1-ethyl-2-pyrrolidinyl)methyl]amino}-3-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

K807-1283 Screening compound: 4-(4-{[(1-ethyl-2-pyrrolidinyl)methyl]amino}-3-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
K807-1283 Screening compound: 4-(4-{[(1-ethyl-2-pyrrolidinyl)methyl]amino}-3-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K807-1283
4-(4-{[(1-ethyl-2-pyrrolidinyl)methyl]amino}-3-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

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

K807-1283

Molecular Formula

C22H26N4O4 (C22 H26 N4 O4)

Compound Name

4-(4-{[(1-ethyl-2-pyrrolidinyl)methyl]amino}-3-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-(4-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-3-nitrophenyl)-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

CCN1C(CNc(ccc(N(C(C2C3C4C=CC2C4)=O)C3=O)c2)c2[N+]([O-])=O)CCC1

InChI

InChI=1S/C22H26N4O4/c1-2-24-9-3-4-16(24)12-23-17-8-7-15(11-18(17)26(29)30)25-21(27)19-13-5-6-14(10-13)20(19)22(25)28/h5-8,11,13-14,16,19-20,23H,2-4,9-10,12H2,1H3

InChI Key

JGXCYBJBCNMMRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.059

Distribution Coefficient, logD

1.254

Water Solubility, LogSw

-2.79

Polar Surface Area

76.249

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

54.50

K807-1283 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K807-1283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K807-1283?
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What is the minimum amount of K807-1283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K807-1283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K807-1283
  • 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 K807-1283 available by request