D347-2446 Screening compound: 1-(4-butylphenyl)-4-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

D347-2446 Screening compound: 1-(4-butylphenyl)-4-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
D347-2446 Screening compound: 1-(4-butylphenyl)-4-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2446
1-(4-butylphenyl)-4-{1-[2-(morpholin-4-yl)-2-oxoethyl]-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

D347-2446

Molecular Formula

C27H32N4O3 (C27 H32 N4 O3)

Compound Name

1-(4-butylphenyl)-4-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(4-butylphenyl)-4-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

CCCCc(cc1)ccc1N(CC(C1)c2nc(cccc3)c3n2CC(N2CCOCC2)=O)C1=O

InChI

InChI=1S/C27H32N4O3/c1-2-3-6-20-9-11-22(12-10-20)30-18-21(17-25(30)32)27-28-23-7-4-5-8-24(23)31(27)19-26(33)29-13-15-34-16-14-29/h4-5,7-12,21H,2-3,6,13-19H2,1H3/t21-/m1/s1

InChI Key

TXSLYHNKRBYSBS-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD10548702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.58

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

4.071

Distribution Coefficient, logD

4.071

Water Solubility, LogSw

-3.92

Polar Surface Area

50.946

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

D347-2446 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D347-2446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2446?
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What is the minimum amount of D347-2446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2446
  • 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 D347-2446 available by request