K917-1098 Screening compound: 6-[(4-BROMOPHENYL)(METHYL)SULFAMOYL]-N-(BUTAN-2-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE

K917-1098 Screening compound: 6-[(4-BROMOPHENYL)(METHYL)SULFAMOYL]-N-(BUTAN-2-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE
K917-1098 Screening compound: 6-[(4-BROMOPHENYL)(METHYL)SULFAMOYL]-N-(BUTAN-2-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K917-1098
6-[(4-BROMOPHENYL)(METHYL)SULFAMOYL]-N-(BUTAN-2-YL)-4-OXO-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

K917-1098

Molecular Formula

C21H22BrN3O4S (C21 H22 BrN3 O4 S)

Compound Name

6-[(4-BROMOPHENYL)(METHYL)SULFAMOYL]-N-(BUTAN-2-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCC(C)NC(C1=CNc(ccc(S(N(C)c(cc2)ccc2Br)(=O)=O)c2)c2C1=O)=O

InChI

InChI=1S/C21H22BrN3O4S/c1-4-13(2)24-21(27)18-12-23-19-10-9-16(11-17(19)20(18)26)30(28,29)25(3)15-7-5-14(22)6-8-15/h5-13H,4H2,1-3H3,(H,23,26)(H,24,27)/t13-/m0/s1

InChI Key

QUIVTMACDZYPAO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15114609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.895

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-4.03

Polar Surface Area

81.305

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

K917-1098 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K917-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K917-1098?
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What is the minimum amount of K917-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K917-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K917-1098
  • 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 K917-1098 available by request