M050-0260 Screening compound: ethyl 4-[4-amino-3-(benzylcarbamoyl)-1,2-thiazole-5-carbonyl]piperazine-1-carboxylate

M050-0260 Screening compound: ethyl 4-[4-amino-3-(benzylcarbamoyl)-1,2-thiazole-5-carbonyl]piperazine-1-carboxylate
M050-0260 Screening compound: ethyl 4-[4-amino-3-(benzylcarbamoyl)-1,2-thiazole-5-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-0260
ethyl 4-[4-amino-3-(benzylcarbamoyl)-1,2-thiazole-5-carbonyl]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

M050-0260

Molecular Formula

C19H23N5O4S (C19 H23 N5 O4 S)

Compound Name

ethyl 4-[4-amino-3-(benzylcarbamoyl)-1,2-thiazole-5-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[4-amino-3-(benzylcarbamoyl)-12-thiazole-5-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(snc1C(NCc2ccccc2)=O)c1N)=O)=O

InChI

InChI=1S/C19H23N5O4S/c1-2-28-19(27)24-10-8-23(9-11-24)18(26)16-14(20)15(22-29-16)17(25)21-12-13-6-4-3-5-7-13/h3-7H,2,8-12,20H2,1H3,(H,21,25)

InChI Key

NISSQPBGNJPRSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.572

Distribution Coefficient, logD

1.572

Water Solubility, LogSw

-2.24

Polar Surface Area

94.728

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

M050-0260 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M050-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-0260?
Check Price and Availability of M050-0260, 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 M050-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-0260
  • 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 M050-0260 available by request