V014-6977 Screening compound: 3-{2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}-3-[(oxolan-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]urea

V014-6977 Screening compound: 3-{2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}-3-[(oxolan-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]urea
V014-6977 Screening compound: 3-{2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}-3-[(oxolan-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-6977
3-{2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}-3-[(oxolan-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]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

V014-6977

Molecular Formula

C28H29F3N4O4S (C28 H29 F3 N4 O4 S)

Compound Name

3-{2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}-3-[(oxolan-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]urea

IUPAC name

3-{2-[6-(25-dimethoxyphenyl)imidazo[21-b][13]thiazol-3-yl]ethyl}-3-[(oxolan-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]urea

SMILES

COc(cc1)cc(-c2cn(c(CCN(CC3OCCC3)C(Nc3ccc(C(F)(F)F)cc3)=O)cs3)c3n2)c1OC

InChI

InChI=1S/C28H29F3N4O4S/c1-37-21-9-10-25(38-2)23(14-21)24-16-35-20(17-40-27(35)33-24)11-12-34(15-22-4-3-13-39-22)26(36)32-19-7-5-18(6-8-19)28(29,30)31/h5-10,14,16-17,22H,3-4,11-13,15H2,1-2H3,(H,32,36)/t22-/m1/s1

InChI Key

GJVMFVJLDYQQGU-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19774968

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

574.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.316

Distribution Coefficient, logD

5.285

Water Solubility, LogSw

-5.14

Polar Surface Area

57.743

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

V014-6977 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 V014-6977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-6977?
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What is the minimum amount of V014-6977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-6977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-6977
  • 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 V014-6977 available by request