K788-5582 Screening compound: 6-(azepane-1-sulfonyl)-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide

K788-5582 Screening compound: 6-(azepane-1-sulfonyl)-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide
K788-5582 Screening compound: 6-(azepane-1-sulfonyl)-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5582
6-(azepane-1-sulfonyl)-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide

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

K788-5582

Molecular Formula

C22H29N3O5S (C22 H29 N3 O5 S)

Compound Name

6-(azepane-1-sulfonyl)-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide

IUPAC name

6-(azepane-1-sulfonyl)-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-14-dihydroquinoline-3-carboxamide

SMILES

CN(C=C1C(NCC2OCCC2)=O)c(ccc(S(N2CCCCCC2)(=O)=O)c2)c2C1=O

InChI

InChI=1S/C22H29N3O5S/c1-24-15-19(22(27)23-14-16-7-6-12-30-16)21(26)18-13-17(8-9-20(18)24)31(28,29)25-10-4-2-3-5-11-25/h8-9,13,15-16H,2-7,10-12,14H2,1H3,(H,23,27)/t16-/m1/s1

InChI Key

VIUSPYWZTYUUQA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD15105819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.307

Distribution Coefficient, logD

1.307

Water Solubility, LogSw

-2.68

Polar Surface Area

80.659

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

K788-5582 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K788-5582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5582?
Check Price and Availability of K788-5582, 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 K788-5582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5582
  • 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 K788-5582 available by request