D073-0347 Screening compound: N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}thiophene-2-carboxamide

D073-0347 Screening compound: N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}thiophene-2-carboxamide
D073-0347 Screening compound: N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0347
N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}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

D073-0347

Molecular Formula

C18H20N4OS (C18 H20 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(ccc(NC(c2cccs2)=O)c2)c2nc1CN1CCCC1

InChI

InChI=1S/C18H20N4OS/c1-21-15-7-6-13(19-18(23)16-5-4-10-24-16)11-14(15)20-17(21)12-22-8-2-3-9-22/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,19,23)

InChI Key

DLYQRWLWMDUTOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06610660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-3.27

Polar Surface Area

40.433

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D073-0347 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 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
  • 3D

References: we are preparing a list of scientific research reports with D073-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0347?
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What is the minimum amount of D073-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0347
  • 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 D073-0347 available by request