V030-3772 Screening compound: N~1~-(3-isobutyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-4-methyl-3-(trifluoromethyl)benzamide

V030-3772 Screening compound: N~1~-(3-isobutyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-4-methyl-3-(trifluoromethyl)benzamide
V030-3772 Screening compound: N~1~-(3-isobutyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-4-methyl-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3772
N~1~-(3-isobutyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-4-methyl-3-(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

V030-3772

Molecular Formula

C23H26F3N3O3S (C23 H26 F3 N3 O3 S)

Compound Name

N~1~-(3-isobutyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-4-methyl-3-(trifluoromethyl)benzamide

IUPAC name

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

SMILES

CCCN(C(CC(C)C)=N1)c(ccc(NC(c2cc(C(F)(F)F)c(C)cc2)=O)c2)c2S1(=O)=O

InChI

InChI=1S/C23H26F3N3O3S/c1-5-10-29-19-9-8-17(13-20(19)33(31,32)28-21(29)11-14(2)3)27-22(30)16-7-6-15(4)18(12-16)23(24,25)26/h6-9,12-14H,5,10-11H2,1-4H3,(H,27,30)

InChI Key

GSHOPGDMJWUVPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499715

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.54

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

5.693

Distribution Coefficient, logD

5.666

Water Solubility, LogSw

-5.38

Polar Surface Area

66.761

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with V030-3772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3772?
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What is the minimum amount of V030-3772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3772
  • 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 V030-3772 available by request