C308-0632 Screening compound: 4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(propan-2-yloxy)propyl]benzamide

C308-0632 Screening compound: 4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(propan-2-yloxy)propyl]benzamide
C308-0632 Screening compound: 4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(propan-2-yloxy)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C308-0632
4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(propan-2-yloxy)propyl]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

C308-0632

Molecular Formula

C29H29FN2O3S (C29 H29 FN2 O3 S)

Compound Name

4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(propan-2-yloxy)propyl]benzamide

IUPAC name

4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}-N-[3-(propan-2-yloxy)propyl]benzamide

SMILES

CC(C)OCCCNC(c1ccc(/C=C2\Sc(cccc3)c3N(Cc(cc3)ccc3F)C2=O)cc1)=O

InChI

InChI=1S/C29H29FN2O3S/c1-20(2)35-17-5-16-31-28(33)23-12-8-21(9-13-23)18-27-29(34)32(19-22-10-14-24(30)15-11-22)25-6-3-4-7-26(25)36-27/h3-4,6-15,18,20H,5,16-17,19H2,1-2H3,(H,31,33)

InChI Key

MNSWIMVZDMTCFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.337

Distribution Coefficient, logD

5.337

Water Solubility, LogSw

-5.17

Polar Surface Area

46.797

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with C308-0632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C308-0632?
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What is the minimum amount of C308-0632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C308-0632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C308-0632
  • 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 C308-0632 available by request