D347-4033 Screening compound: 1-(2-{1-[4-(3,5-dimethylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)ethan-1-one

D347-4033 Screening compound: 1-(2-{1-[4-(3,5-dimethylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)ethan-1-one
D347-4033 Screening compound: 1-(2-{1-[4-(3,5-dimethylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-4033
1-(2-{1-[4-(3,5-dimethylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)ethan-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

D347-4033

Molecular Formula

C25H31N3O2 (C25 H31 N3 O2)

Compound Name

1-(2-{1-[4-(3,5-dimethylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)ethan-1-one

IUPAC name

1-(2-{1-[4-(35-dimethylphenoxy)butyl]-1H-13-benzodiazol-2-yl}pyrrolidin-1-yl)ethan-1-one

SMILES

CC(N(CCC1)C1c1nc(cccc2)c2n1CCCCOc1cc(C)cc(C)c1)=O

InChI

InChI=1S/C25H31N3O2/c1-18-15-19(2)17-21(16-18)30-14-7-6-12-28-23-10-5-4-9-22(23)26-25(28)24-11-8-13-27(24)20(3)29/h4-5,9-10,15-17,24H,6-8,11-14H2,1-3H3/t24-/m0/s1

InChI Key

GBSJCHNYQXWLQQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14821194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.670

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.43

Polar Surface Area

34.739

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with D347-4033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-4033?
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What is the minimum amount of D347-4033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-4033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-4033
  • 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 D347-4033 available by request