6425-0063 Screening compound: 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

6425-0063 Screening compound: 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
6425-0063 Screening compound: 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6425-0063
7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

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

6425-0063

Molecular Formula

C24H24BrFN4O3S (C24 H24 BrFN4 O3 S)

Compound Name

7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

IUPAC name

7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-14-dihydroquinoline-3-carboxylic acid

SMILES

CCN(C=C(C(O)=O)C(c1c2)=O)c1cc(N(CC1)CCN1C(Nc(ccc(C)c1)c1Br)=S)c2F

InChI

InChI=1S/C24H24BrFN4O3S/c1-3-28-13-16(23(32)33)22(31)15-11-18(26)21(12-20(15)28)29-6-8-30(9-7-29)24(34)27-19-5-4-14(2)10-17(19)25/h4-5,10-13H,3,6-9H2,1-2H3,(H,27,34)(H,32,33)

InChI Key

XBTFMMGRTRGDQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03297630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.454

Distribution Coefficient, logD

1.268

Water Solubility, LogSw

-3.84

Polar Surface Area

57.127

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

6425-0063 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 6425-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6425-0063?
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What is the minimum amount of 6425-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6425-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6425-0063
  • 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 6425-0063 available by request