V027-4626 Screening compound: ethyl 1-(4-{[(2Z)-2-[(3,4-dimethoxybenzoyl)imino]-2,3-dihydro-1,3-thiazol-3-yl]methyl}benzoyl)piperidine-4-carboxylate

V027-4626 Screening compound: ethyl 1-(4-{[(2Z)-2-[(3,4-dimethoxybenzoyl)imino]-2,3-dihydro-1,3-thiazol-3-yl]methyl}benzoyl)piperidine-4-carboxylate
V027-4626 Screening compound: ethyl 1-(4-{[(2Z)-2-[(3,4-dimethoxybenzoyl)imino]-2,3-dihydro-1,3-thiazol-3-yl]methyl}benzoyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4626
ethyl 1-(4-{[(2Z)-2-[(3,4-dimethoxybenzoyl)imino]-2,3-dihydro-1,3-thiazol-3-yl]methyl}benzoyl)piperidine-4-carboxylate

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

V027-4626

Molecular Formula

C28H31N3O6S (C28 H31 N3 O6 S)

Compound Name

ethyl 1-(4-{[(2Z)-2-[(3,4-dimethoxybenzoyl)imino]-2,3-dihydro-1,3-thiazol-3-yl]methyl}benzoyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(4-{[(2Z)-2-[(34-dimethoxybenzoyl)imino]-23-dihydro-13-thiazol-3-yl]methyl}benzoyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1ccc(CN(C=CS2)/C2=N/C(c(cc2)cc(OC)c2OC)=O)cc1)=O)=O

InChI

InChI=1S/C28H31N3O6S/c1-4-37-27(34)21-11-13-30(14-12-21)26(33)20-7-5-19(6-8-20)18-31-15-16-38-28(31)29-25(32)22-9-10-23(35-2)24(17-22)36-3/h5-10,15-17,21H,4,11-14,18H2,1-3H3

InChI Key

BTGXSDFWWBYWHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19796852

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.329

Distribution Coefficient, logD

2.329

Water Solubility, LogSw

-2.76

Polar Surface Area

78.533

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V027-4626 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 V027-4626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4626?
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What is the minimum amount of V027-4626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4626
  • 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 V027-4626 available by request