C791-0647 Screening compound: 3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(2-fluorophenyl)methyl]propanamide

C791-0647 Screening compound: 3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
C791-0647 Screening compound: 3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(2-fluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0647
3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(2-fluorophenyl)methyl]propanamide

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

C791-0647

Molecular Formula

C23H22F2N2O2 (C23 H22 F2 N2 O2)

Compound Name

3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(2-fluorophenyl)methyl]propanamide

IUPAC name

3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(2-fluorophenyl)methyl]propanamide

SMILES

CC(c1c(C)n(CCC(NCc(cccc2)c2F)=O)c(-c(cc2)ccc2F)c1)=O

InChI

InChI=1S/C23H22F2N2O2/c1-15-20(16(2)28)13-22(17-7-9-19(24)10-8-17)27(15)12-11-23(29)26-14-18-5-3-4-6-21(18)25/h3-10,13H,11-12,14H2,1-2H3,(H,26,29)

InChI Key

VYYASTFOCANACB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.309

Water Solubility, LogSw

-4.17

Polar Surface Area

39.194

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C791-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0647?
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What is the minimum amount of C791-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0647
  • 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 C791-0647 available by request