V013-8050 Screening compound: 1-benzyl-3-(4-cyanophenyl)-1-{2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}urea

V013-8050 Screening compound: 1-benzyl-3-(4-cyanophenyl)-1-{2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}urea
V013-8050 Screening compound: 1-benzyl-3-(4-cyanophenyl)-1-{2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8050
1-benzyl-3-(4-cyanophenyl)-1-{2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}urea

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

V013-8050

Molecular Formula

C28H22FN5OS (C28 H22 FN5 OS)

Compound Name

1-benzyl-3-(4-cyanophenyl)-1-{2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}urea

IUPAC name

1-benzyl-3-(4-cyanophenyl)-1-{2-[6-(4-fluorophenyl)imidazo[21-b][13]thiazol-3-yl]ethyl}urea

SMILES

N#Cc(cc1)ccc1NC(N(CCc1csc2nc(-c(cc3)ccc3F)cn12)Cc1ccccc1)=O

InChI

InChI=1S/C28H22FN5OS/c29-23-10-8-22(9-11-23)26-18-34-25(19-36-28(34)32-26)14-15-33(17-21-4-2-1-3-5-21)27(35)31-24-12-6-20(16-30)7-13-24/h1-13,18-19H,14-15,17H2,(H,31,35)

InChI Key

PZJFJUZVOWIPEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775057

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.670

Distribution Coefficient, logD

5.670

Water Solubility, LogSw

-5.69

Polar Surface Area

50.971

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

V013-8050 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 V013-8050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8050?
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What is the minimum amount of V013-8050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8050
  • 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 V013-8050 available by request