D347-2313 Screening compound: 1-(5-chloro-2-methoxyphenyl)-4-{1-[2-(3-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

D347-2313 Screening compound: 1-(5-chloro-2-methoxyphenyl)-4-{1-[2-(3-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
D347-2313 Screening compound: 1-(5-chloro-2-methoxyphenyl)-4-{1-[2-(3-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2313
1-(5-chloro-2-methoxyphenyl)-4-{1-[2-(3-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-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

D347-2313

Molecular Formula

C27H26ClN3O4 (C27 H26 ClN3 O4)

Compound Name

1-(5-chloro-2-methoxyphenyl)-4-{1-[2-(3-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(5-chloro-2-methoxyphenyl)-4-{1-[2-(3-methoxyphenoxy)ethyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

COc1cccc(OCCn2c(cccc3)c3nc2C(CC2=O)CN2c(cc(cc2)Cl)c2OC)c1

InChI

InChI=1S/C27H26ClN3O4/c1-33-20-6-5-7-21(16-20)35-13-12-30-23-9-4-3-8-22(23)29-27(30)18-14-26(32)31(17-18)24-15-19(28)10-11-25(24)34-2/h3-11,15-16,18H,12-14,17H2,1-2H3/t18-/m1/s1

InChI Key

SMFJTSFUPDQHPJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD10044543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.435

Distribution Coefficient, logD

5.435

Water Solubility, LogSw

-5.83

Polar Surface Area

48.915

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

D347-2313 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D347-2313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2313?
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What is the minimum amount of D347-2313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2313
  • 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 D347-2313 available by request