D516-0101 Screening compound: N-{2-[1-methyl-5-(2-phenoxyacetamido)-1H-1,3-benzodiazol-2-yl]ethyl}thiophene-2-carboxamide

D516-0101 Screening compound: N-{2-[1-methyl-5-(2-phenoxyacetamido)-1H-1,3-benzodiazol-2-yl]ethyl}thiophene-2-carboxamide
D516-0101 Screening compound: N-{2-[1-methyl-5-(2-phenoxyacetamido)-1H-1,3-benzodiazol-2-yl]ethyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0101
N-{2-[1-methyl-5-(2-phenoxyacetamido)-1H-1,3-benzodiazol-2-yl]ethyl}thiophene-2-carboxamide

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

D516-0101

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

N-{2-[1-methyl-5-(2-phenoxyacetamido)-1H-1,3-benzodiazol-2-yl]ethyl}thiophene-2-carboxamide

IUPAC name

N-{2-[1-methyl-5-(2-phenoxyacetamido)-1H-13-benzodiazol-2-yl]ethyl}thiophene-2-carboxamide

SMILES

Cn1c(ccc(NC(COc2ccccc2)=O)c2)c2nc1CCNC(c1cccs1)=O

InChI

InChI=1S/C23H22N4O3S/c1-27-19-10-9-16(25-22(28)15-30-17-6-3-2-4-7-17)14-18(19)26-21(27)11-12-24-23(29)20-8-5-13-31-20/h2-10,13-14H,11-12,15H2,1H3,(H,24,29)(H,25,28)

InChI Key

FCFCWFUAUYBVNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

3.255

Water Solubility, LogSw

-3.59

Polar Surface Area

67.875

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D516-0101 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D516-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0101?
Check Price and Availability of D516-0101, 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 D516-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0101
  • 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 D516-0101 available by request