D333-0134 Screening compound: ethyl 4-methyl-2-{4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-amido}-1,3-thiazole-5-carboxylate

D333-0134 Screening compound: ethyl 4-methyl-2-{4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-amido}-1,3-thiazole-5-carboxylate
D333-0134 Screening compound: ethyl 4-methyl-2-{4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-amido}-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D333-0134
ethyl 4-methyl-2-{4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-amido}-1,3-thiazole-5-carboxylate

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

D333-0134

Molecular Formula

C20H21N3O4S2 (C20 H21 N3 O4 S2)

Compound Name

ethyl 4-methyl-2-{4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-amido}-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 4-methyl-2-{4-methyl-2-[(3-methylphenoxy)methyl]-13-thiazole-5-amido}-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(c2c(C)nc(COc3cc(C)ccc3)s2)=O)s1)=O

InChI

InChI=1S/C20H21N3O4S2/c1-5-26-19(25)17-13(4)22-20(29-17)23-18(24)16-12(3)21-15(28-16)10-27-14-8-6-7-11(2)9-14/h6-9H,5,10H2,1-4H3,(H,22,23,24)

InChI Key

OBURRUDQLKOQOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09540862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.851

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-4.64

Polar Surface Area

73.012

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D333-0134 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D333-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D333-0134?
Check Price and Availability of D333-0134, 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 D333-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D333-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D333-0134
  • 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 D333-0134 available by request