V028-0277 Screening compound: 1-benzyl-1-{2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}-3-(3,5-dimethoxyphenyl)urea

V028-0277 Screening compound: 1-benzyl-1-{2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}-3-(3,5-dimethoxyphenyl)urea
V028-0277 Screening compound: 1-benzyl-1-{2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}-3-(3,5-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0277
1-benzyl-1-{2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}-3-(3,5-dimethoxyphenyl)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

V028-0277

Molecular Formula

C29H27ClN4O3S (C29 H27 ClN4 O3 S)

Compound Name

1-benzyl-1-{2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl}-3-(3,5-dimethoxyphenyl)urea

IUPAC name

1-benzyl-1-{2-[6-(4-chlorophenyl)imidazo[21-b][13]thiazol-3-yl]ethyl}-3-(35-dimethoxyphenyl)urea

SMILES

COc1cc(NC(N(CCc2csc3nc(-c(cc4)ccc4Cl)cn23)Cc2ccccc2)=O)cc(OC)c1

InChI

InChI=1S/C29H27ClN4O3S/c1-36-25-14-23(15-26(16-25)37-2)31-28(35)33(17-20-6-4-3-5-7-20)13-12-24-19-38-29-32-27(18-34(24)29)21-8-10-22(30)11-9-21/h3-11,14-16,18-19H,12-13,17H2,1-2H3,(H,31,35)

InChI Key

OQMLZOQCQFYJJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19774502

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.08

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.720

Distribution Coefficient, logD

6.720

Water Solubility, LogSw

-6.28

Polar Surface Area

49.003

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

V028-0277 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 V028-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0277?
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What is the minimum amount of V028-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0277
  • 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 V028-0277 available by request