D376-1191 Screening compound: ethyl 3-(2-{2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}acetamido)benzoate

D376-1191 Screening compound: ethyl 3-(2-{2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}acetamido)benzoate
D376-1191 Screening compound: ethyl 3-(2-{2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D376-1191
ethyl 3-(2-{2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}acetamido)benzoate

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

D376-1191

Molecular Formula

C23H24N2O4S (C23 H24 N2 O4 S)

Compound Name

ethyl 3-(2-{2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}acetamido)benzoate

IUPAC name

ethyl 3-(2-{2-[(34-dimethylphenoxy)methyl]-13-thiazol-4-yl}acetamido)benzoate

SMILES

CCOC(c1cccc(NC(Cc2csc(COc3cc(C)c(C)cc3)n2)=O)c1)=O

InChI

InChI=1S/C23H24N2O4S/c1-4-28-23(27)17-6-5-7-18(11-17)24-21(26)12-19-14-30-22(25-19)13-29-20-9-8-15(2)16(3)10-20/h5-11,14H,4,12-13H2,1-3H3,(H,24,26)

InChI Key

NHNPIKFABFNRSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.771

Distribution Coefficient, logD

5.771

Water Solubility, LogSw

-5.49

Polar Surface Area

62.093

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D376-1191 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D376-1191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D376-1191?
Check Price and Availability of D376-1191, 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 D376-1191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D376-1191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D376-1191
  • 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 D376-1191 available by request