V029-6294 Screening compound: 3-({2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(4-methylphenyl)-3-(propan-2-yl)urea

V029-6294 Screening compound: 3-({2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(4-methylphenyl)-3-(propan-2-yl)urea
V029-6294 Screening compound: 3-({2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(4-methylphenyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6294
3-({2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(4-methylphenyl)-3-(propan-2-yl)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

V029-6294

Molecular Formula

C22H23Cl2N3O2S (C22 H23 Cl2 N3 O2 S)

Compound Name

3-({2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-(4-methylphenyl)-3-(propan-2-yl)urea

IUPAC name

3-({2-[(25-dichlorophenoxy)methyl]-13-thiazol-4-yl}methyl)-1-(4-methylphenyl)-3-(propan-2-yl)urea

SMILES

CC(C)N(Cc1csc(COc(cc(cc2)Cl)c2Cl)n1)C(Nc1ccc(C)cc1)=O

InChI

InChI=1S/C22H23Cl2N3O2S/c1-14(2)27(22(28)26-17-7-4-15(3)5-8-17)11-18-13-30-21(25-18)12-29-20-10-16(23)6-9-19(20)24/h4-10,13-14H,11-12H2,1-3H3,(H,26,28)

InChI Key

WSEMYRRHFGLLMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868101

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.717

Distribution Coefficient, logD

6.717

Water Solubility, LogSw

-6.34

Polar Surface Area

43.324

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V029-6294 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V029-6294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6294?
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What is the minimum amount of V029-6294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6294
  • 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 V029-6294 available by request