V029-8091 Screening compound: (5Z)-3-benzyl-5-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione

V029-8091 Screening compound: (5Z)-3-benzyl-5-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
V029-8091 Screening compound: (5Z)-3-benzyl-5-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8091
(5Z)-3-benzyl-5-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione

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

V029-8091

Molecular Formula

C27H22N2O3S (C27 H22 N2 O3 S)

Compound Name

(5Z)-3-benzyl-5-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione

IUPAC name

(5Z)-3-benzyl-5-{[4-(1234-tetrahydroisoquinoline-2-carbonyl)phenyl]methylidene}-13-thiazolidine-24-dione

SMILES

O=C(c1ccc(/C=C(/C(N2Cc3ccccc3)=O)\SC2=O)cc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C27H22N2O3S/c30-25(28-15-14-21-8-4-5-9-23(21)18-28)22-12-10-19(11-13-22)16-24-26(31)29(27(32)33-24)17-20-6-2-1-3-7-20/h1-13,16H,14-15,17-18H2

InChI Key

YHAQXORRBXZPHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19934508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.040

Distribution Coefficient, logD

5.040

Water Solubility, LogSw

-4.90

Polar Surface Area

45.906

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.81

References: we are preparing a list of scientific research reports with V029-8091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8091?
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What is the minimum amount of V029-8091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8091
  • 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 V029-8091 available by request