F390-0058 Screening compound: 4-(4-butylphenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

F390-0058 Screening compound: 4-(4-butylphenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
F390-0058 Screening compound: 4-(4-butylphenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0058
4-(4-butylphenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

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

F390-0058

Molecular Formula

C26H25NO3S (C26 H25 NO3 S)

Compound Name

4-(4-butylphenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

IUPAC name

4-(4-butylphenyl)-2-(4-methylbenzoyl)-4H-1lambda64-benzothiazine-11-dione

SMILES

CCCCc(cc1)ccc1N(C=C1C(c2ccc(C)cc2)=O)c(cccc2)c2S1(=O)=O

InChI

InChI=1S/C26H25NO3S/c1-3-4-7-20-12-16-22(17-13-20)27-18-25(26(28)21-14-10-19(2)11-15-21)31(29,30)24-9-6-5-8-23(24)27/h5-6,8-18H,3-4,7H2,1-2H3

InChI Key

VHAYGGMUMPFYQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.865

Distribution Coefficient, logD

5.865

Water Solubility, LogSw

-5.43

Polar Surface Area

44.417

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with F390-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0058?
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What is the minimum amount of F390-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0058
  • 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 F390-0058 available by request