V017-4090 Screening compound: 4-(2-{2-amino-1-[3-(morpholin-4-yl)propyl]-4-oxo-4,5-dihydro-1H-pyrrol-3-yl}-1,3-thiazol-4-yl)benzonitrile

V017-4090 Screening compound: 4-(2-{2-amino-1-[3-(morpholin-4-yl)propyl]-4-oxo-4,5-dihydro-1H-pyrrol-3-yl}-1,3-thiazol-4-yl)benzonitrile
V017-4090 Screening compound: 4-(2-{2-amino-1-[3-(morpholin-4-yl)propyl]-4-oxo-4,5-dihydro-1H-pyrrol-3-yl}-1,3-thiazol-4-yl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4090
4-(2-{2-amino-1-[3-(morpholin-4-yl)propyl]-4-oxo-4,5-dihydro-1H-pyrrol-3-yl}-1,3-thiazol-4-yl)benzonitrile

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

V017-4090

Molecular Formula

C21H23N5O2S (C21 H23 N5 O2 S)

Compound Name

4-(2-{2-amino-1-[3-(morpholin-4-yl)propyl]-4-oxo-4,5-dihydro-1H-pyrrol-3-yl}-1,3-thiazol-4-yl)benzonitrile

IUPAC name

n/a

SMILES

NC(N(CCCN1CCOCC1)CC1=O)=C1c1nc(-c(cc2)ccc2C#N)cs1

InChI

InChI=1S/C21H23N5O2S/c22-12-15-2-4-16(5-3-15)17-14-29-21(24-17)19-18(27)13-26(20(19)23)7-1-6-25-8-10-28-11-9-25/h2-5,14H,1,6-11,13,23H2

InChI Key

RHTZZJKKCPSOEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14265085

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.150

Distribution Coefficient, logD

2.020

Water Solubility, LogSw

-2.53

Polar Surface Area

75.805

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

V017-4090 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V017-4090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4090?
Check Price and Availability of V017-4090, 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 V017-4090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4090
  • 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 V017-4090 available by request