8013-2250 Screening compound: 7-(4-{[(4-chlorophenyl)formamido]methanethioyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

8013-2250 Screening compound: 7-(4-{[(4-chlorophenyl)formamido]methanethioyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
8013-2250 Screening compound: 7-(4-{[(4-chlorophenyl)formamido]methanethioyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2250
7-(4-{[(4-chlorophenyl)formamido]methanethioyl}piperazin-1-yl)-1-cyclopropyl-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

8013-2250

Molecular Formula

C25H22ClFN4O4S (C25 H22 ClFN4 O4 S)

Compound Name

7-(4-{[(4-chlorophenyl)formamido]methanethioyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

IUPAC name

7-(4-{[(4-chlorophenyl)formamido]methanethioyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-14-dihydroquinoline-3-carboxylic acid

SMILES

OC(C(C(c1c2)=O)=CN(C3CC3)c1cc(N(CC1)CCN1C(NC(c(cc1)ccc1Cl)=O)=S)c2F)=O

InChI

InChI=1S/C25H22ClFN4O4S/c26-15-3-1-14(2-4-15)23(33)28-25(36)30-9-7-29(8-10-30)21-12-20-17(11-19(21)27)22(32)18(24(34)35)13-31(20)16-5-6-16/h1-4,11-13,16H,5-10H2,(H,34,35)(H,28,33,36)

InChI Key

WLNHZGUFSYARDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03675239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.704

Distribution Coefficient, logD

0.518

Water Solubility, LogSw

-3.68

Polar Surface Area

71.725

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

8013-2250 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8013-2250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2250?
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What is the minimum amount of 8013-2250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2250
  • 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 8013-2250 available by request