V030-4537 Screening compound: N~2~-[4-(4-fluorobenzyl)-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-thiophenecarboxamide

V030-4537 Screening compound: N~2~-[4-(4-fluorobenzyl)-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-thiophenecarboxamide
V030-4537 Screening compound: N~2~-[4-(4-fluorobenzyl)-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4537
N~2~-[4-(4-fluorobenzyl)-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-thiophenecarboxamide

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

V030-4537

Molecular Formula

C22H20FN3O3S2 (C22 H20 FN3 O3 S2)

Compound Name

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

IUPAC name

N-{4-[(4-fluorophenyl)methyl]-11-dioxo-3-propyl-4H-1lambda624-benzothiadiazin-7-yl}thiophene-2-carboxamide

SMILES

CCCC(N(Cc(cc1)ccc1F)c(cc1)c2cc1NC(c1cccs1)=O)=NS2(=O)=O

InChI

InChI=1S/C22H20FN3O3S2/c1-2-4-21-25-31(28,29)20-13-17(24-22(27)19-5-3-12-30-19)10-11-18(20)26(21)14-15-6-8-16(23)9-7-15/h3,5-13H,2,4,14H2,1H3,(H,24,27)

InChI Key

YRZQZMFFGUWDPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499815

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.55

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

4.794

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-4.48

Polar Surface Area

67.529

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

V030-4537 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V030-4537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4537?
Check Price and Availability of V030-4537, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V030-4537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4537
  • 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 V030-4537 available by request