C306-0552 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

C306-0552 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide
C306-0552 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C306-0552
N-{2-[bis(2-methylpropyl)amino]ethyl}-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

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

C306-0552

Molecular Formula

C20H29N3O2S (C20 H29 N3 O2 S)

Compound Name

N-{2-[bis(2-methylpropyl)amino]ethyl}-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

IUPAC name

N-{2-[bis(2-methylpropyl)amino]ethyl}-2-[(2Z)-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]acetamide

SMILES

CC(C)CN(CCNC(/C=C1\Sc(cccc2)c2NC1=O)=O)CC(C)C

InChI

InChI=1S/C20H29N3O2S/c1-14(2)12-23(13-15(3)4)10-9-21-19(24)11-18-20(25)22-16-7-5-6-8-17(16)26-18/h5-8,11,14-15H,9-10,12-13H2,1-4H3,(H,21,24)(H,22,25)

InChI Key

SDYZEWYTELBOJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.453

Distribution Coefficient, logD

1.496

Water Solubility, LogSw

-3.72

Polar Surface Area

53.391

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C306-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C306-0552?
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What is the minimum amount of C306-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C306-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C306-0552
  • 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 C306-0552 available by request