C879-1068 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

C879-1068 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
C879-1068 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1068
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

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

C879-1068

Molecular Formula

C25H28ClFN2O4 (C25 H28 ClFN2 O4)

Compound Name

1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

IUPAC name

1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(34-dimethoxyphenyl)ethyl]amino}methyl)-25-dimethyl-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCCc(cc2)cc(OC)c2OC)c(C(O)=O)c(C)n1Cc(ccc(F)c1)c1Cl

InChI

InChI=1S/C25H28ClFN2O4/c1-15-20(13-28-10-9-17-5-8-22(32-3)23(11-17)33-4)24(25(30)31)16(2)29(15)14-18-6-7-19(27)12-21(18)26/h5-8,11-12,28H,9-10,13-14H2,1-4H3,(H,30,31)

InChI Key

BSMLEHVEBKTXKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.820

Water Solubility, LogSw

-4.12

Polar Surface Area

57.212

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with C879-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1068?
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What is the minimum amount of C879-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1068
  • 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 C879-1068 available by request