V030-2562 Screening compound: N~1~-[3-(sec-butyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclobutanecarboxamide

V030-2562 Screening compound: N~1~-[3-(sec-butyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclobutanecarboxamide
V030-2562 Screening compound: N~1~-[3-(sec-butyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-2562
N~1~-[3-(sec-butyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclobutanecarboxamide

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

V030-2562

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

N~1~-[3-(sec-butyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclobutanecarboxamide

IUPAC name

N-[3-(butan-2-yl)-11-dioxo-4-phenyl-4H-1lambda624-benzothiadiazin-7-yl]cyclobutanecarboxamide

SMILES

CCC(C)C(N(c1ccccc1)c(cc1)c2cc1NC(C1CCC1)=O)=NS2(=O)=O

InChI

InChI=1S/C22H25N3O3S/c1-3-15(2)21-24-29(27,28)20-14-17(23-22(26)16-8-7-9-16)12-13-19(20)25(21)18-10-5-4-6-11-18/h4-6,10-16H,3,7-9H2,1-2H3,(H,23,26)/t15-/m0/s1

InChI Key

TYLIWIFGDINYII-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD20499963

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.159

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.51

Polar Surface Area

66.566

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

V030-2562 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with V030-2562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-2562?
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What is the minimum amount of V030-2562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-2562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-2562
  • 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 V030-2562 available by request