V030-3731 Screening compound: N~1~-[4-(4-fluorobenzyl)-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclopropanecarboxamide

V030-3731 Screening compound: N~1~-[4-(4-fluorobenzyl)-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclopropanecarboxamide
V030-3731 Screening compound: N~1~-[4-(4-fluorobenzyl)-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3731
N~1~-[4-(4-fluorobenzyl)-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclopropanecarboxamide

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

V030-3731

Molecular Formula

C21H22FN3O3S (C21 H22 FN3 O3 S)

Compound Name

N~1~-[4-(4-fluorobenzyl)-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclopropanecarboxamide

IUPAC name

N-{4-[(4-fluorophenyl)methyl]-11-dioxo-3-propyl-4H-1lambda624-benzothiadiazin-7-yl}cyclopropanecarboxamide

SMILES

CCCC(N(Cc(cc1)ccc1F)c(cc1)c2cc1NC(C1CC1)=O)=NS2(=O)=O

InChI

InChI=1S/C21H22FN3O3S/c1-2-3-20-24-29(27,28)19-12-17(23-21(26)15-6-7-15)10-11-18(19)25(20)13-14-4-8-16(22)9-5-14/h4-5,8-12,15H,2-3,6-7,13H2,1H3,(H,23,26)

InChI Key

QMXVSLVDKLYIQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499817

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-4.06

Polar Surface Area

67.034

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V030-3731 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-3731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3731?
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What is the minimum amount of V030-3731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3731
  • 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 V030-3731 available by request