D347-2631 Screening compound: methyl 2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate

D347-2631 Screening compound: methyl 2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate
D347-2631 Screening compound: methyl 2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2631
methyl 2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate

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

D347-2631

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

methyl 2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate

IUPAC name

methyl 2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-13-benzodiazol-1-yl}acetate

SMILES

COC(Cn1c(cccc2)c2nc1C(CC1=O)CN1c(cc1)ccc1OC)=O

InChI

InChI=1S/C21H21N3O4/c1-27-16-9-7-15(8-10-16)23-12-14(11-19(23)25)21-22-17-5-3-4-6-18(17)24(21)13-20(26)28-2/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1

InChI Key

SWPBUGNYOGARDB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD09148253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.778

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-2.97

Polar Surface Area

55.040

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D347-2631 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D347-2631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2631?
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What is the minimum amount of D347-2631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2631
  • 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 D347-2631 available by request