D347-4299 Screening compound: 1-butyl-4-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

D347-4299 Screening compound: 1-butyl-4-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one
D347-4299 Screening compound: 1-butyl-4-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-4299
1-butyl-4-(1-{[4-(propan-2-yl)phenyl]methyl}-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

D347-4299

Molecular Formula

C25H31N3O (C25 H31 N3 O)

Compound Name

1-butyl-4-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

IUPAC name

1-butyl-4-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-13-benzodiazol-2-yl)pyrrolidin-2-one

SMILES

CCCCN(CC(C1)c2nc(cccc3)c3n2Cc2ccc(C(C)C)cc2)C1=O

InChI

InChI=1S/C25H31N3O/c1-4-5-14-27-17-21(15-24(27)29)25-26-22-8-6-7-9-23(22)28(25)16-19-10-12-20(13-11-19)18(2)3/h6-13,18,21H,4-5,14-17H2,1-3H3/t21-/m1/s1

InChI Key

CRZXCQRTCPBIEB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD09759441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.605

Distribution Coefficient, logD

5.604

Water Solubility, LogSw

-5.31

Polar Surface Area

27.341

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

D347-4299 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D347-4299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-4299?
Check Price and Availability of D347-4299, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D347-4299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-4299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-4299
  • 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 D347-4299 available by request