SC02-0029 Screening compound: 4-fluoro-N-[1-[3-(1H-indol-3-yl)propanoyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]benzamide

SC02-0029 Screening compound: 4-fluoro-N-[1-[3-(1H-indol-3-yl)propanoyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]benzamide
SC02-0029 Screening compound: 4-fluoro-N-[1-[3-(1H-indol-3-yl)propanoyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0029
4-fluoro-N-[1-[3-(1H-indol-3-yl)propanoyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-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

SC02-0029

Molecular Formula

C25H28FN3O3 (C25 H28 FN3 O3)

Compound Name

4-fluoro-N-[1-[3-(1H-indol-3-yl)propanoyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]benzamide

IUPAC name

4-fluoro-N-{1-[3-(1H-indol-3-yl)propanoyl]-3-(2-methoxyethyl)pyrrolidin-3-yl}benzamide

SMILES

COCCC(CC1)(CN1C(CCc1c[nH]c2c1cccc2)=O)NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C25H28FN3O3/c1-32-15-13-25(28-24(31)18-6-9-20(26)10-7-18)12-14-29(17-25)23(30)11-8-19-16-27-22-5-3-2-4-21(19)22/h2-7,9-10,16,27H,8,11-15,17H2,1H3,(H,28,31)/t25-/m1/s1

InChI Key

HBNOPMVPEVCVRC-RUZDIDTESA-N

MDL Number (MFCD)

MFCD32251559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.099

Distribution Coefficient, logD

3.099

Water Solubility, LogSw

-3.28

Polar Surface Area

59.135

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

SC02-0029 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC02-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0029?
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What is the minimum amount of SC02-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0029
  • 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 SC02-0029 available by request