V005-2058 Screening compound: N-[(2Z)-3-[(2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)methyl]-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]furan-2-carboxamide

V005-2058 Screening compound: N-[(2Z)-3-[(2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)methyl]-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]furan-2-carboxamide
V005-2058 Screening compound: N-[(2Z)-3-[(2-{[(4-fluorophenyl)methyl]carbamoyl}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 V005-2058
N-[(2Z)-3-[(2-{[(4-fluorophenyl)methyl]carbamoyl}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

V005-2058

Molecular Formula

C25H22FN3O3S (C25 H22 FN3 O3 S)

Compound Name

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

IUPAC name

N-[(2Z)-3-[(2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)methyl]-45-dimethyl-23-dihydro-13-thiazol-2-ylidene]furan-2-carboxamide

SMILES

CC(N1Cc(cccc2)c2C(NCc(cc2)ccc2F)=O)=C(C)S/C1=N\C(c1ccco1)=O

InChI

InChI=1S/C25H22FN3O3S/c1-16-17(2)33-25(28-24(31)22-8-5-13-32-22)29(16)15-19-6-3-4-7-21(19)23(30)27-14-18-9-11-20(26)12-10-18/h3-13H,14-15H2,1-2H3,(H,27,30)

InChI Key

KZLHRELOVUILAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

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

4.411

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.33

Polar Surface Area

58.751

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V005-2058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2058?
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What is the minimum amount of V005-2058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2058
  • 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 V005-2058 available by request