V026-1727 Screening compound: N-[(2Z)-3-{[2-(cyclopropylcarbamoyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]furan-2-carboxamide

V026-1727 Screening compound: N-[(2Z)-3-{[2-(cyclopropylcarbamoyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]furan-2-carboxamide
V026-1727 Screening compound: N-[(2Z)-3-{[2-(cyclopropylcarbamoyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-1727
N-[(2Z)-3-{[2-(cyclopropylcarbamoyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]furan-2-carboxamide

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

V026-1727

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

N-[(2Z)-3-{[2-(cyclopropylcarbamoyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]furan-2-carboxamide

IUPAC name

N-[(2Z)-3-{[2-(cyclopropylcarbamoyl)phenyl]methyl}-45-dimethyl-23-dihydro-13-thiazol-2-ylidene]furan-2-carboxamide

SMILES

CC(N1Cc(cccc2)c2C(NC2CC2)=O)=C(C)S/C1=N\C(c1ccco1)=O

InChI

InChI=1S/C21H21N3O3S/c1-13-14(2)28-21(23-20(26)18-8-5-11-27-18)24(13)12-15-6-3-4-7-17(15)19(25)22-16-9-10-16/h3-8,11,16H,9-10,12H2,1-2H3,(H,22,25)

InChI Key

APXJUAIBRCXHGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792258

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.338

Distribution Coefficient, logD

3.338

Water Solubility, LogSw

-3.70

Polar Surface Area

58.808

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V026-1727 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 V026-1727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-1727?
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What is the minimum amount of V026-1727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-1727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-1727
  • 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 V026-1727 available by request