K788-9747 Screening compound: ethyl 4-[(2Z)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate

K788-9747 Screening compound: ethyl 4-[(2Z)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate
K788-9747 Screening compound: ethyl 4-[(2Z)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9747
ethyl 4-[(2Z)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate

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

K788-9747

Molecular Formula

C31H31N3O4S (C31 H31 N3 O4 S)

Compound Name

ethyl 4-[(2Z)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(2Z)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzothiazine-6-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc(N(Cc2cc(C)ccc2)C2=O)c1S/C2=C\c1ccccc1)=O)=O

InChI

InChI=1S/C31H31N3O4S/c1-3-38-31(37)33-16-14-32(15-17-33)29(35)25-12-13-27-26(20-25)34(21-24-11-7-8-22(2)18-24)30(36)28(39-27)19-23-9-5-4-6-10-23/h4-13,18-20H,3,14-17,21H2,1-2H3

InChI Key

FFQFALXLEBOPTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.759

Distribution Coefficient, logD

5.759

Water Solubility, LogSw

-5.45

Polar Surface Area

54.498

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with K788-9747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9747?
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What is the minimum amount of K788-9747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9747
  • 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 K788-9747 available by request