D347-3889 Screening compound: 1-(2-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)propan-1-one

D347-3889 Screening compound: 1-(2-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)propan-1-one
D347-3889 Screening compound: 1-(2-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-3889
1-(2-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)propan-1-one

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

D347-3889

Molecular Formula

C24H29N3O2 (C24 H29 N3 O2)

Compound Name

1-(2-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)propan-1-one

IUPAC name

1-(2-{1-[2-(25-dimethylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}pyrrolidin-1-yl)propan-1-one

SMILES

CCC(N(CCC1)C1c1nc(cccc2)c2n1CCOc1c(C)ccc(C)c1)=O

InChI

InChI=1S/C24H29N3O2/c1-4-23(28)26-13-7-10-21(26)24-25-19-8-5-6-9-20(19)27(24)14-15-29-22-16-17(2)11-12-18(22)3/h5-6,8-9,11-12,16,21H,4,7,10,13-15H2,1-3H3/t21-/m0/s1

InChI Key

PYKFJMHOLHCMBE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27580291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-4.60

Polar Surface Area

33.831

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with D347-3889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-3889?
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What is the minimum amount of D347-3889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-3889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-3889
  • 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 D347-3889 available by request