V013-4989 Screening compound: N-[4-(2,6-dimethylmorpholine-4-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide

V013-4989 Screening compound: N-[4-(2,6-dimethylmorpholine-4-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
V013-4989 Screening compound: N-[4-(2,6-dimethylmorpholine-4-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4989
N-[4-(2,6-dimethylmorpholine-4-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide

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

V013-4989

Molecular Formula

C17H18FN3O3S (C17 H18 FN3 O3 S)

Compound Name

N-[4-(2,6-dimethylmorpholine-4-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide

IUPAC name

N-[4-(26-dimethylmorpholine-4-carbonyl)-13-thiazol-2-yl]-2-fluorobenzamide

SMILES

CC(C1)OC(C)CN1C(c1csc(NC(c(cccc2)c2F)=O)n1)=O

InChI

InChI=1S/C17H18FN3O3S/c1-10-7-21(8-11(2)24-10)16(23)14-9-25-17(19-14)20-15(22)12-5-3-4-6-13(12)18/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,22)

InChI Key

ROKIBXOPFALHKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19976442

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

363.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.417

Distribution Coefficient, logD

2.092

Water Solubility, LogSw

-3.14

Polar Surface Area

56.957

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.30

V013-4989 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with V013-4989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4989?
Check Price and Availability of V013-4989, 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 V013-4989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4989
  • 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 V013-4989 available by request