V030-1488 Screening compound: N-[(2Z)-3-(carbamoylmethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide

V030-1488 Screening compound: N-[(2Z)-3-(carbamoylmethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide
V030-1488 Screening compound: N-[(2Z)-3-(carbamoylmethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1488
N-[(2Z)-3-(carbamoylmethyl)-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

V030-1488

Molecular Formula

C17H12F3N3O2S (C17 H12 F3 N3 O2 S)

Compound Name

N-[(2Z)-3-(carbamoylmethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide

IUPAC name

N-[(2Z)-3-(carbamoylmethyl)-23-dihydro-13-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide

SMILES

NC(CN(c(cccc1)c1S1)/C1=N/C(c1cc(C(F)(F)F)ccc1)=O)=O

InChI

InChI=1S/C17H12F3N3O2S/c18-17(19,20)11-5-3-4-10(8-11)15(25)22-16-23(9-14(21)24)12-6-1-2-7-13(12)26-16/h1-8H,9H2,(H2,21,24)

InChI Key

FPMNCPZOSTYREA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499772

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

379.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.586

Water Solubility, LogSw

-3.11

Polar Surface Area

58.918

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

V030-1488 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V030-1488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1488?
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What is the minimum amount of V030-1488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1488
  • 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 V030-1488 available by request