D347-3842 Screening compound: 1-(2-{1-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)propan-1-one

D347-3842 Screening compound: 1-(2-{1-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)propan-1-one
D347-3842 Screening compound: 1-(2-{1-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-3842
1-(2-{1-[(2-methoxyphenyl)methyl]-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

D347-3842

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

1-(2-{1-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)propan-1-one

IUPAC name

1-(2-{1-[(2-methoxyphenyl)methyl]-1H-13-benzodiazol-2-yl}pyrrolidin-1-yl)propan-1-one

SMILES

CCC(N(CCC1)C1c1nc(cccc2)c2n1Cc(cccc1)c1OC)=O

InChI

InChI=1S/C22H25N3O2/c1-3-21(26)24-14-8-12-19(24)22-23-17-10-5-6-11-18(17)25(22)15-16-9-4-7-13-20(16)27-2/h4-7,9-11,13,19H,3,8,12,14-15H2,1-2H3/t19-/m0/s1

InChI Key

IHSYUHKYDWTVAB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD12961884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.967

Distribution Coefficient, logD

3.967

Water Solubility, LogSw

-4.01

Polar Surface Area

33.978

Acid Dissociation Constant (pKa)

23.18

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

D347-3842 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D347-3842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-3842?
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What is the minimum amount of D347-3842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-3842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-3842
  • 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 D347-3842 available by request