C308-0062 Screening compound: N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

C308-0062 Screening compound: N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
C308-0062 Screening compound: N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C308-0062
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

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

C308-0062

Molecular Formula

C31H33FN4O2S (C31 H33 FN4 O2 S)

Compound Name

N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

IUPAC name

N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}benzamide

SMILES

CCN1CCN(CCNC(c2ccc(/C=C3\Sc(cccc4)c4N(Cc(cccc4)c4F)C3=O)cc2)=O)CC1

InChI

InChI=1S/C31H33FN4O2S/c1-2-34-17-19-35(20-18-34)16-15-33-30(37)24-13-11-23(12-14-24)21-29-31(38)36(22-25-7-3-4-8-26(25)32)27-9-5-6-10-28(27)39-29/h3-14,21H,2,15-20,22H2,1H3,(H,33,37)

InChI Key

LKWNQQVTFQKJHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

3.820

Water Solubility, LogSw

-4.15

Polar Surface Area

46.844

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

C308-0062 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C308-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C308-0062?
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What is the minimum amount of C308-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C308-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C308-0062
  • 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 C308-0062 available by request