D161-1518 Screening compound: N-(5-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pentyl)acetamide

D161-1518 Screening compound: N-(5-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pentyl)acetamide
D161-1518 Screening compound: N-(5-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pentyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D161-1518
N-(5-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pentyl)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

D161-1518

Molecular Formula

C23H29N3O (C23 H29 N3 O)

Compound Name

N-(5-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pentyl)acetamide

IUPAC name

N-(5-{1-[(25-dimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}pentyl)acetamide

SMILES

CC(NCCCCCc1nc(cccc2)c2n1Cc1c(C)ccc(C)c1)=O

InChI

InChI=1S/C23H29N3O/c1-17-12-13-18(2)20(15-17)16-26-22-10-7-6-9-21(22)25-23(26)11-5-4-8-14-24-19(3)27/h6-7,9-10,12-13,15H,4-5,8,11,14,16H2,1-3H3,(H,24,27)

InChI Key

BIIZADBLVOUERQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.643

Distribution Coefficient, logD

4.528

Water Solubility, LogSw

-4.25

Polar Surface Area

35.569

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with D161-1518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D161-1518?
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What is the minimum amount of D161-1518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D161-1518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D161-1518
  • 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 D161-1518 available by request