V030-3735 Screening compound: N~1~-[3-(sec-butyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide

V030-3735 Screening compound: N~1~-[3-(sec-butyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide
V030-3735 Screening compound: N~1~-[3-(sec-butyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3735
N~1~-[3-(sec-butyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide

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

V030-3735

Molecular Formula

C22H24F3N3O3S (C22 H24 F3 N3 O3 S)

Compound Name

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

IUPAC name

N-[3-(butan-2-yl)-11-dioxo-4-propyl-4H-1lambda624-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide

SMILES

CCCN(C(C(C)CC)=N1)c(ccc(NC(c2ccc(C(F)(F)F)cc2)=O)c2)c2S1(=O)=O

InChI

InChI=1S/C22H24F3N3O3S/c1-4-12-28-18-11-10-17(13-19(18)32(30,31)27-20(28)14(3)5-2)26-21(29)15-6-8-16(9-7-15)22(23,24)25/h6-11,13-14H,4-5,12H2,1-3H3,(H,26,29)/t14-/m0/s1

InChI Key

FTWAUNJYCHICIY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD20499873

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.386

Distribution Coefficient, logD

5.378

Water Solubility, LogSw

-5.40

Polar Surface Area

66.905

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V030-3735 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-3735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3735?
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What is the minimum amount of V030-3735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3735
  • 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 V030-3735 available by request