V003-8464 Screening compound: N-[(5-chloro-2-{[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy}phenyl)methyl]-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide

V003-8464 Screening compound: N-[(5-chloro-2-{[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy}phenyl)methyl]-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide
V003-8464 Screening compound: N-[(5-chloro-2-{[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy}phenyl)methyl]-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8464
N-[(5-chloro-2-{[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy}phenyl)methyl]-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide

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

V003-8464

Molecular Formula

C25H30ClN3O6S2 (C25 H30 ClN3 O6 S2)

Compound Name

N-[(5-chloro-2-{[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy}phenyl)methyl]-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide

IUPAC name

N-[(5-chloro-2-{[4-(hydroxymethyl)-13-thiazol-2-yl]methoxy}phenyl)methyl]-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide

SMILES

COc(cc1)ccc1S(N(CCN1CCOCC1)Cc(cc(cc1)Cl)c1OCc1nc(CO)cs1)(=O)=O

InChI

InChI=1S/C25H30ClN3O6S2/c1-33-22-3-5-23(6-4-22)37(31,32)29(9-8-28-10-12-34-13-11-28)15-19-14-20(26)2-7-24(19)35-17-25-27-21(16-30)18-36-25/h2-7,14,18,30H,8-13,15-17H2,1H3

InChI Key

DQRCIOJLHIHPIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19836439

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

568.11

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.64

Polar Surface Area

86.181

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V003-8464 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-8464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8464?
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What is the minimum amount of V003-8464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8464
  • 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 V003-8464 available by request