V013-3881 Screening compound: N-[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

V013-3881 Screening compound: N-[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
V013-3881 Screening compound: N-[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-3881
N-[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

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

V013-3881

Molecular Formula

C19H22N4O5S (C19 H22 N4 O5 S)

Compound Name

N-[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

IUPAC name

N-[4-(4-acetylpiperazine-1-carbonyl)-13-thiazol-2-yl]-35-dimethoxybenzamide

SMILES

CC(N(CC1)CCN1C(c1csc(NC(c2cc(OC)cc(OC)c2)=O)n1)=O)=O

InChI

InChI=1S/C19H22N4O5S/c1-12(24)22-4-6-23(7-5-22)18(26)16-11-29-19(20-16)21-17(25)13-8-14(27-2)10-15(9-13)28-3/h8-11H,4-7H2,1-3H3,(H,20,21,25)

InChI Key

GPODVDOXQVYTSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19976556

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

418.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.996

Distribution Coefficient, logD

1.993

Water Solubility, LogSw

-2.75

Polar Surface Area

82.307

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

V013-3881 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V013-3881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3881?
Check Price and Availability of V013-3881, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V013-3881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3881
  • 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 V013-3881 available by request