D305-1242 Screening compound: N-{1-ethyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-4-methylbenzamide

D305-1242 Screening compound: N-{1-ethyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-4-methylbenzamide
D305-1242 Screening compound: N-{1-ethyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-1242
N-{1-ethyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-4-methylbenzamide

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

D305-1242

Molecular Formula

C23H28N4O (C23 H28 N4 O)

Compound Name

N-{1-ethyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-4-methylbenzamide

IUPAC name

N-{1-ethyl-2-[(piperidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}-4-methylbenzamide

SMILES

CCn1c(ccc(NC(c2ccc(C)cc2)=O)c2)c2nc1CN1CCCCC1

InChI

InChI=1S/C23H28N4O/c1-3-27-21-12-11-19(24-23(28)18-9-7-17(2)8-10-18)15-20(21)25-22(27)16-26-13-5-4-6-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,28)

InChI Key

JGAYUPHUDRBBJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.06

Polar Surface Area

37.963

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D305-1242 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D305-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-1242?
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What is the minimum amount of D305-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-1242
  • 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 D305-1242 available by request