D305-0190 Screening compound: N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-methylpropanamide

D305-0190 Screening compound: N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-methylpropanamide
D305-0190 Screening compound: N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0190
N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-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

D305-0190

Molecular Formula

C19H29N5O (C19 H29 N5 O)

Compound Name

N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-methylpropanamide

IUPAC name

N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-1H-13-benzodiazol-5-yl}-2-methylpropanamide

SMILES

CCN1CCN(Cc2nc(cc(cc3)NC(C(C)C)=O)c3n2C)CC1

InChI

InChI=1S/C19H29N5O/c1-5-23-8-10-24(11-9-23)13-18-21-16-12-15(20-19(25)14(2)3)6-7-17(16)22(18)4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,20,25)

InChI Key

CBFOLVUHBPWVCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09164549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.795

Distribution Coefficient, logD

0.685

Water Solubility, LogSw

-2.49

Polar Surface Area

42.857

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

D305-0190 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D305-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0190?
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What is the minimum amount of D305-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0190
  • 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 D305-0190 available by request