V030-4528 Screening compound: N~1~-[3-ethyl-1,1-dioxo-4-(tetrahydro-2-furanylmethyl)-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-methylpropanamide

V030-4528 Screening compound: N~1~-[3-ethyl-1,1-dioxo-4-(tetrahydro-2-furanylmethyl)-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-methylpropanamide
V030-4528 Screening compound: N~1~-[3-ethyl-1,1-dioxo-4-(tetrahydro-2-furanylmethyl)-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4528
N~1~-[3-ethyl-1,1-dioxo-4-(tetrahydro-2-furanylmethyl)-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-methylpropanamide

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

V030-4528

Molecular Formula

C18H25N3O4S (C18 H25 N3 O4 S)

Compound Name

N~1~-[3-ethyl-1,1-dioxo-4-(tetrahydro-2-furanylmethyl)-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-methylpropanamide

IUPAC name

N-{3-ethyl-11-dioxo-4-[(oxolan-2-yl)methyl]-4H-1lambda624-benzothiadiazin-7-yl}-2-methylpropanamide

SMILES

CCC(N(CC1OCCC1)c(cc1)c2cc1NC(C(C)C)=O)=NS2(=O)=O

InChI

InChI=1S/C18H25N3O4S/c1-4-17-20-26(23,24)16-10-13(19-18(22)12(2)3)7-8-15(16)21(17)11-14-6-5-9-25-14/h7-8,10,12,14H,4-6,9,11H2,1-3H3,(H,19,22)/t14-/m1/s1

InChI Key

VHXRBTUKWSJBQT-CQSZACIVSA-N

MDL Number (MFCD)

MFCD20499843

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.098

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-2.95

Polar Surface Area

75.437

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

V030-4528 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V030-4528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4528?
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What is the minimum amount of V030-4528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4528
  • 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 V030-4528 available by request