4556-1129 Screening compound: ethyl 4-{2-[({[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate

4556-1129 Screening compound: ethyl 4-{2-[({[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate
4556-1129 Screening compound: ethyl 4-{2-[({[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4556-1129
ethyl 4-{2-[({[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-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

4556-1129

Molecular Formula

C23H30N4O5S2 (C23 H30 N4 O5 S2)

Compound Name

ethyl 4-{2-[({[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[({[4-(4-ethoxyphenyl)-5-methyl-13-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CSCC(Nc1nc(-c(cc2)ccc2OCC)c(C)s1)=O)=O)=O

InChI

InChI=1S/C23H30N4O5S2/c1-4-31-18-8-6-17(7-9-18)21-16(3)34-22(25-21)24-19(28)14-33-15-20(29)26-10-12-27(13-11-26)23(30)32-5-2/h6-9H,4-5,10-15H2,1-3H3,(H,24,25,28)

InChI Key

AGJIOIYHTUBAKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.743

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-3.82

Polar Surface Area

79.958

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

4556-1129 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4556-1129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4556-1129?
Check Price and Availability of 4556-1129, 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 4556-1129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4556-1129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4556-1129
  • 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 4556-1129 available by request