Y031-1633 Screening compound: ethyl 2-(5-chloro-4-acetamido-2-methoxybenzamido)-4-methyl-1,3-thiazole-5-carboxylate

Y031-1633 Screening compound: ethyl 2-(5-chloro-4-acetamido-2-methoxybenzamido)-4-methyl-1,3-thiazole-5-carboxylate
Y031-1633 Screening compound: ethyl 2-(5-chloro-4-acetamido-2-methoxybenzamido)-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1633
ethyl 2-(5-chloro-4-acetamido-2-methoxybenzamido)-4-methyl-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

Y031-1633

Molecular Formula

C17H18ClN3O5S (C17 H18 ClN3 O5 S)

Compound Name

ethyl 2-(5-chloro-4-acetamido-2-methoxybenzamido)-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-(5-chloro-4-acetamido-2-methoxybenzamido)-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(c(c(OC)c2)cc(Cl)c2NC(C)=O)=O)s1)=O

InChI

InChI=1S/C17H18ClN3O5S/c1-5-26-16(24)14-8(2)19-17(27-14)21-15(23)10-6-11(18)12(20-9(3)22)7-13(10)25-4/h6-7H,5H2,1-4H3,(H,20,22)(H,19,21,23)

InChI Key

QHDLCQOWIQBATR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07066898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.419

Distribution Coefficient, logD

0.440

Water Solubility, LogSw

-3.78

Polar Surface Area

84.901

Acid Dissociation Constant (pKa)

4.42

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

Y031-1633 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-1633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1633?
Check Price and Availability of Y031-1633, 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 Y031-1633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1633
  • 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 Y031-1633 available by request