D305-2499 Screening compound: N-{1-ethyl-2-[(1H-pyrazol-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-methylpropanamide

D305-2499 Screening compound: N-{1-ethyl-2-[(1H-pyrazol-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-methylpropanamide
D305-2499 Screening compound: N-{1-ethyl-2-[(1H-pyrazol-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-2499
N-{1-ethyl-2-[(1H-pyrazol-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-methylpropanamide

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

D305-2499

Molecular Formula

C17H21N5O (C17 H21 N5 O)

Compound Name

N-{1-ethyl-2-[(1H-pyrazol-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-methylpropanamide

IUPAC name

N-{1-ethyl-2-[(1H-pyrazol-1-yl)methyl]-1H-13-benzodiazol-5-yl}-2-methylpropanamide

SMILES

CCn1c(ccc(NC(C(C)C)=O)c2)c2nc1Cn1nccc1

InChI

InChI=1S/C17H21N5O/c1-4-22-15-7-6-13(19-17(23)12(2)3)10-14(15)20-16(22)11-21-9-5-8-18-21/h5-10,12H,4,11H2,1-3H3,(H,19,23)

InChI Key

ZCXLULQJDGTMEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09164138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.404

Distribution Coefficient, logD

2.392

Water Solubility, LogSw

-2.96

Polar Surface Area

49.025

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D305-2499 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D305-2499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-2499?
Check Price and Availability of D305-2499, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D305-2499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-2499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-2499
  • 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 D305-2499 available by request