V030-6154 Screening compound: N-[(2Z)-3-{[(2-methoxyethyl)carbamoyl]methyl}-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide

V030-6154 Screening compound: N-[(2Z)-3-{[(2-methoxyethyl)carbamoyl]methyl}-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide
V030-6154 Screening compound: N-[(2Z)-3-{[(2-methoxyethyl)carbamoyl]methyl}-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6154
N-[(2Z)-3-{[(2-methoxyethyl)carbamoyl]methyl}-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-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

V030-6154

Molecular Formula

C21H20F3N3O3S (C21 H20 F3 N3 O3 S)

Compound Name

N-[(2Z)-3-{[(2-methoxyethyl)carbamoyl]methyl}-6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide

IUPAC name

N-[(2Z)-3-{[(2-methoxyethyl)carbamoyl]methyl}-6-methyl-23-dihydro-13-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide

SMILES

Cc(cc1)cc(S2)c1N(CC(NCCOC)=O)/C2=N/C(c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C21H20F3N3O3S/c1-13-6-7-16-17(10-13)31-20(27(16)12-18(28)25-8-9-30-2)26-19(29)14-4-3-5-15(11-14)21(22,23)24/h3-7,10-11H,8-9,12H2,1-2H3,(H,25,28)

InChI Key

VFNWSRHCEVKPLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499771

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.91

Polar Surface Area

58.186

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V030-6154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6154?
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What is the minimum amount of V030-6154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6154
  • 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 V030-6154 available by request