D516-0108 Screening compound: N-(2-{5-[2-(4-chlorophenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)thiophene-2-carboxamide

D516-0108 Screening compound: N-(2-{5-[2-(4-chlorophenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)thiophene-2-carboxamide
D516-0108 Screening compound: N-(2-{5-[2-(4-chlorophenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0108
N-(2-{5-[2-(4-chlorophenoxy)acetamido]-1-methyl-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

D516-0108

Molecular Formula

C23H21ClN4O3S (C23 H21 ClN4 O3 S)

Compound Name

N-(2-{5-[2-(4-chlorophenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)thiophene-2-carboxamide

IUPAC name

N-(2-{5-[2-(4-chlorophenoxy)acetamido]-1-methyl-1H-13-benzodiazol-2-yl}ethyl)thiophene-2-carboxamide

SMILES

Cn1c(ccc(NC(COc(cc2)ccc2Cl)=O)c2)c2nc1CCNC(c1cccs1)=O

InChI

InChI=1S/C23H21ClN4O3S/c1-28-19-9-6-16(26-22(29)14-31-17-7-4-15(24)5-8-17)13-18(19)27-21(28)10-11-25-23(30)20-3-2-12-32-20/h2-9,12-13H,10-11,14H2,1H3,(H,25,30)(H,26,29)

InChI Key

MROLBOMQMUAAPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.96

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

3.883

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.42

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

D516-0108 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D516-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0108?
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What is the minimum amount of D516-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0108
  • 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 D516-0108 available by request