2047-9693 Screening compound: 4-butoxy-N-[(1E)-1-[4-(dimethylamino)phenyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxoprop-1-en-2-yl]benzamide

2047-9693 Screening compound: 4-butoxy-N-[(1E)-1-[4-(dimethylamino)phenyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxoprop-1-en-2-yl]benzamide
2047-9693 Screening compound: 4-butoxy-N-[(1E)-1-[4-(dimethylamino)phenyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxoprop-1-en-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2047-9693
4-butoxy-N-[(1E)-1-[4-(dimethylamino)phenyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxoprop-1-en-2-yl]benzamide

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

2047-9693

Molecular Formula

C33H38FN3O3 (C33 H38 FN3 O3)

Compound Name

4-butoxy-N-[(1E)-1-[4-(dimethylamino)phenyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxoprop-1-en-2-yl]benzamide

IUPAC name

4-butoxy-N-[(1E)-1-[4-(dimethylamino)phenyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxoprop-1-en-2-yl]benzamide

SMILES

CCCCOc(cc1)ccc1C(N/C(/C(N(CC1)CCC1c(cc1)ccc1F)=O)=C/c(cc1)ccc1N(C)C)=O

InChI

InChI=1S/C33H38FN3O3/c1-4-5-22-40-30-16-10-27(11-17-30)32(38)35-31(23-24-6-14-29(15-7-24)36(2)3)33(39)37-20-18-26(19-21-37)25-8-12-28(34)13-9-25/h6-17,23,26H,4-5,18-22H2,1-3H3,(H,35,38)

InChI Key

KSYOSFPXQPIWKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.902

Distribution Coefficient, logD

5.659

Water Solubility, LogSw

-5.72

Polar Surface Area

48.762

Acid Dissociation Constant (pKa)

6.18

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

2047-9693 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2047-9693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2047-9693?
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What is the minimum amount of 2047-9693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2047-9693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2047-9693
  • 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 2047-9693 available by request