K788-9480 Screening compound: (2Z)-N-{3-[bis(2-methylpropyl)amino]propyl}-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-9480 Screening compound: (2Z)-N-{3-[bis(2-methylpropyl)amino]propyl}-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-9480 Screening compound: (2Z)-N-{3-[bis(2-methylpropyl)amino]propyl}-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9480
(2Z)-N-{3-[bis(2-methylpropyl)amino]propyl}-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

K788-9480

Molecular Formula

C27H35N3O2S (C27 H35 N3 O2 S)

Compound Name

(2Z)-N-{3-[bis(2-methylpropyl)amino]propyl}-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2Z)-N-{3-[bis(2-methylpropyl)amino]propyl}-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CC(C)CN(CCCNC(c(cc1)cc(NC2=O)c1S/C2=C\c1ccccc1)=O)CC(C)C

InChI

InChI=1S/C27H35N3O2S/c1-19(2)17-30(18-20(3)4)14-8-13-28-26(31)22-11-12-24-23(16-22)29-27(32)25(33-24)15-21-9-6-5-7-10-21/h5-7,9-12,15-16,19-20H,8,13-14,17-18H2,1-4H3,(H,28,31)(H,29,32)

InChI Key

NGHLHLCIEAJALD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.555

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-5.34

Polar Surface Area

53.333

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

10.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with K788-9480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9480?
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What is the minimum amount of K788-9480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9480
  • 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 K788-9480 available by request