C879-1365 Screening compound: 1-(2,5-dimethylbenzyl)-4-({[1-(ethoxycarbonyl)-4-piperidyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

C879-1365 Screening compound: 1-(2,5-dimethylbenzyl)-4-({[1-(ethoxycarbonyl)-4-piperidyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
C879-1365 Screening compound: 1-(2,5-dimethylbenzyl)-4-({[1-(ethoxycarbonyl)-4-piperidyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1365
1-(2,5-dimethylbenzyl)-4-({[1-(ethoxycarbonyl)-4-piperidyl]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

C879-1365

Molecular Formula

C25H35N3O4 (C25 H35 N3 O4)

Compound Name

1-(2,5-dimethylbenzyl)-4-({[1-(ethoxycarbonyl)-4-piperidyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

IUPAC name

1-[(25-dimethylphenyl)methyl]-4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-25-dimethyl-1H-pyrrole-3-carboxylic acid

SMILES

CCOC(N(CC1)CCC1NCc1c(C)n(Cc2c(C)ccc(C)c2)c(C)c1C(O)=O)=O

InChI

InChI=1S/C25H35N3O4/c1-6-32-25(31)27-11-9-21(10-12-27)26-14-22-18(4)28(19(5)23(22)24(29)30)15-20-13-16(2)7-8-17(20)3/h7-8,13,21,26H,6,9-12,14-15H2,1-5H3,(H,29,30)

InChI Key

FNWXNNNFNYKIIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.10

Polar Surface Area

64.406

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

14.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with C879-1365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1365?
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What is the minimum amount of C879-1365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1365
  • 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 C879-1365 available by request