E002-0154 Screening compound: methyl 2-({[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}amino)benzoate

E002-0154 Screening compound: methyl 2-({[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}amino)benzoate
E002-0154 Screening compound: methyl 2-({[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0154
methyl 2-({[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}amino)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

E002-0154

Molecular Formula

C17H21N5O3S (C17 H21 N5 O3 S)

Compound Name

methyl 2-({[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}amino)benzoate

IUPAC name

methyl 2-({[5-(2-methylpiperidin-1-yl)-134-thiadiazol-2-yl]carbamoyl}amino)benzoate

SMILES

CC(CCCC1)N1c1nnc(NC(Nc(cccc2)c2C(OC)=O)=O)s1

InChI

InChI=1S/C17H21N5O3S/c1-11-7-5-6-10-22(11)17-21-20-16(26-17)19-15(24)18-13-9-4-3-8-12(13)14(23)25-2/h3-4,8-9,11H,5-7,10H2,1-2H3,(H2,18,19,20,24)/t11-/m0/s1

InChI Key

YGKDZKGXBVIQJG-NSHDSACASA-N

MDL Number (MFCD)

MFCD14834392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.663

Distribution Coefficient, logD

3.662

Water Solubility, LogSw

-3.96

Polar Surface Area

79.115

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

E002-0154 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E002-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0154?
Check Price and Availability of E002-0154, 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 E002-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0154
  • 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 E002-0154 available by request