Y031-1399 Screening compound: ethyl 2-[4-(2,4-dichlorophenoxy)butanamido]-4-methyl-1,3-thiazole-5-carboxylate

Y031-1399 Screening compound: ethyl 2-[4-(2,4-dichlorophenoxy)butanamido]-4-methyl-1,3-thiazole-5-carboxylate
Y031-1399 Screening compound: ethyl 2-[4-(2,4-dichlorophenoxy)butanamido]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1399
ethyl 2-[4-(2,4-dichlorophenoxy)butanamido]-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

Y031-1399

Molecular Formula

C17H18Cl2N2O4S (C17 H18 Cl2 N2 O4 S)

Compound Name

ethyl 2-[4-(2,4-dichlorophenoxy)butanamido]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[4-(24-dichlorophenoxy)butanamido]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(CCCOc(ccc(Cl)c2)c2Cl)=O)s1)=O

InChI

InChI=1S/C17H18Cl2N2O4S/c1-3-24-16(23)15-10(2)20-17(26-15)21-14(22)5-4-8-25-13-7-6-11(18)9-12(13)19/h6-7,9H,3-5,8H2,1-2H3,(H,20,21,22)

InChI Key

ZPOMOANFWKWJLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.31

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

4.355

Distribution Coefficient, logD

4.279

Water Solubility, LogSw

-4.48

Polar Surface Area

61.998

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

Y031-1399 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y031-1399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1399?
Check Price and Availability of Y031-1399, 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 Y031-1399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1399
  • 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 Y031-1399 available by request