J049-1564 Screening compound: methyl 2-{[(4-butyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)carbonyl]amino}benzoate

J049-1564 Screening compound: methyl 2-{[(4-butyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)carbonyl]amino}benzoate
J049-1564 Screening compound: methyl 2-{[(4-butyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J049-1564
methyl 2-{[(4-butyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)carbonyl]amino}benzoate

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

J049-1564

Molecular Formula

C21H23N3O5S (C21 H23 N3 O5 S)

Compound Name

methyl 2-{[(4-butyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)carbonyl]amino}benzoate

IUPAC name

methyl 2-(4-butyl-3-methyl-11-dioxo-4H-1lambda624-benzothiadiazine-7-amido)benzoate

SMILES

CCCCN(C(C)=N1)c(ccc(C(Nc(cccc2)c2C(OC)=O)=O)c2)c2S1(=O)=O

InChI

InChI=1S/C21H23N3O5S/c1-4-5-12-24-14(2)23-30(27,28)19-13-15(10-11-18(19)24)20(25)22-17-9-7-6-8-16(17)21(26)29-3/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)

InChI Key

DOLCJWXEBLTKGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-3.77

Polar Surface Area

86.145

Acid Dissociation Constant (pKa)

6.60

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with J049-1564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J049-1564?
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What is the minimum amount of J049-1564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J049-1564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J049-1564
  • 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 J049-1564 available by request