D161-0485 Screening compound: 2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide

D161-0485 Screening compound: 2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
D161-0485 Screening compound: 2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D161-0485
2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide

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

D161-0485

Molecular Formula

C19H21N3OS (C19 H21 N3 OS)

Compound Name

2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide

IUPAC name

2-{[(1H-13-benzodiazol-2-yl)methyl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide

SMILES

CC(C)N(C(CSCc1nc(cccc2)c2[nH]1)=O)c1ccccc1

InChI

InChI=1S/C19H21N3OS/c1-14(2)22(15-8-4-3-5-9-15)19(23)13-24-12-18-20-16-10-6-7-11-17(16)21-18/h3-11,14H,12-13H2,1-2H3,(H,20,21)

InChI Key

HULNNEMXQWHPDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06643524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.058

Distribution Coefficient, logD

4.055

Water Solubility, LogSw

-4.18

Polar Surface Area

35.467

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with D161-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D161-0485?
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What is the minimum amount of D161-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D161-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D161-0485
  • 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 D161-0485 available by request