V027-8866F Screening compound: N~1~-[3-ethyl-4-(2-methoxyethyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methyl-3-(trifluoromethyl)benzamide

V027-8866F Screening compound: N~1~-[3-ethyl-4-(2-methoxyethyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methyl-3-(trifluoromethyl)benzamide
V027-8866F Screening compound: N~1~-[3-ethyl-4-(2-methoxyethyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methyl-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8866F
N~1~-[3-ethyl-4-(2-methoxyethyl)-1,1-dioxo-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

V027-8866F

Molecular Formula

C21H22F3N3O4S (C21 H22 F3 N3 O4 S)

Compound Name

N~1~-[3-ethyl-4-(2-methoxyethyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methyl-3-(trifluoromethyl)benzamide

IUPAC name

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

SMILES

CCC(N(CCOC)c(cc1)c2cc1NC(c1cc(C(F)(F)F)c(C)cc1)=O)=NS2(=O)=O

InChI

InChI=1S/C21H22F3N3O4S/c1-4-19-26-32(29,30)18-12-15(7-8-17(18)27(19)9-10-31-3)25-20(28)14-6-5-13(2)16(11-14)21(22,23)24/h5-8,11-12H,4,9-10H2,1-3H3,(H,25,28)

InChI Key

DVRDZGBCWGPVJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.852

Water Solubility, LogSw

-4.01

Polar Surface Area

75.103

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with V027-8866F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8866F?
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What is the minimum amount of V027-8866F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8866F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8866F
  • 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 V027-8866F available by request