V025-9826 Screening compound: ethyl 1-{2-[(2Z)-2-[(3,4-dimethoxybenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetyl}piperidine-4-carboxylate

V025-9826 Screening compound: ethyl 1-{2-[(2Z)-2-[(3,4-dimethoxybenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetyl}piperidine-4-carboxylate
V025-9826 Screening compound: ethyl 1-{2-[(2Z)-2-[(3,4-dimethoxybenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9826
ethyl 1-{2-[(2Z)-2-[(3,4-dimethoxybenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetyl}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

V025-9826

Molecular Formula

C26H29N3O6S (C26 H29 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(CN(c(cccc1)c1S1)/C1=N/C(c(cc1)cc(OC)c1OC)=O)=O)=O

InChI

InChI=1S/C26H29N3O6S/c1-4-35-25(32)17-11-13-28(14-12-17)23(30)16-29-19-7-5-6-8-22(19)36-26(29)27-24(31)18-9-10-20(33-2)21(15-18)34-3/h5-10,15,17H,4,11-14,16H2,1-3H3

InChI Key

ONPZDLHZFQTIGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792271

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.603

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-3.05

Polar Surface Area

77.666

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with V025-9826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9826?
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What is the minimum amount of V025-9826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9826
  • 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 V025-9826 available by request