V012-7384 Screening compound: 1-(4-{2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-1,3-thiazole-4-carbonyl}piperazin-1-yl)ethan-1-one

V012-7384 Screening compound: 1-(4-{2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-1,3-thiazole-4-carbonyl}piperazin-1-yl)ethan-1-one
V012-7384 Screening compound: 1-(4-{2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-1,3-thiazole-4-carbonyl}piperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-7384
1-(4-{2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-1,3-thiazole-4-carbonyl}piperazin-1-yl)ethan-1-one

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

V012-7384

Molecular Formula

C18H19N3O5S (C18 H19 N3 O5 S)

Compound Name

1-(4-{2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-1,3-thiazole-4-carbonyl}piperazin-1-yl)ethan-1-one

IUPAC name

1-(4-{2-[(2H-13-benzodioxol-5-yloxy)methyl]-13-thiazole-4-carbonyl}piperazin-1-yl)ethan-1-one

SMILES

CC(N(CC1)CCN1C(c1csc(COc(cc2)cc3c2OCO3)n1)=O)=O

InChI

InChI=1S/C18H19N3O5S/c1-12(22)20-4-6-21(7-5-20)18(23)14-10-27-17(19-14)9-24-13-2-3-15-16(8-13)26-11-25-15/h2-3,8,10H,4-7,9,11H2,1H3

InChI Key

PKYKACUJKBPVKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19839313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.650

Distribution Coefficient, logD

1.650

Water Solubility, LogSw

-2.35

Polar Surface Area

68.926

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

V012-7384 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 V012-7384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7384?
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What is the minimum amount of V012-7384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7384
  • 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 V012-7384 available by request