D347-2554 Screening compound: 1-(4-methoxyphenyl)-4-(1-{2-[2-(prop-2-en-1-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

D347-2554 Screening compound: 1-(4-methoxyphenyl)-4-(1-{2-[2-(prop-2-en-1-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one
D347-2554 Screening compound: 1-(4-methoxyphenyl)-4-(1-{2-[2-(prop-2-en-1-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2554
1-(4-methoxyphenyl)-4-(1-{2-[2-(prop-2-en-1-yl)phenoxy]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

D347-2554

Molecular Formula

C29H29N3O3 (C29 H29 N3 O3)

Compound Name

1-(4-methoxyphenyl)-4-(1-{2-[2-(prop-2-en-1-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

IUPAC name

1-(4-methoxyphenyl)-4-(1-{2-[2-(prop-2-en-1-yl)phenoxy]ethyl}-1H-13-benzodiazol-2-yl)pyrrolidin-2-one

SMILES

COc(cc1)ccc1N(CC(C1)c2nc(cccc3)c3n2CCOc2c(CC=C)cccc2)C1=O

InChI

InChI=1S/C29H29N3O3/c1-3-8-21-9-4-7-12-27(21)35-18-17-31-26-11-6-5-10-25(26)30-29(31)22-19-28(33)32(20-22)23-13-15-24(34-2)16-14-23/h3-7,9-16,22H,1,8,17-20H2,2H3/t22-/m1/s1

InChI Key

YUYXIJBBJIKGPD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD09759490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.899

Distribution Coefficient, logD

5.899

Water Solubility, LogSw

-5.53

Polar Surface Area

41.672

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

D347-2554 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 D347-2554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2554?
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What is the minimum amount of D347-2554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2554
  • 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 D347-2554 available by request