C879-1502 Screening compound: 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[(oxolan-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

C879-1502 Screening compound: 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[(oxolan-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
C879-1502 Screening compound: 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[(oxolan-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1502
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[(oxolan-2-yl)methyl]amino}methyl)-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

C879-1502

Molecular Formula

C20H25ClN2O3 (C20 H25 ClN2 O3)

Compound Name

1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[(oxolan-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

IUPAC name

1-[(3-chlorophenyl)methyl]-25-dimethyl-4-({[(oxolan-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCC2OCCC2)c(C(O)=O)c(C)n1Cc1cccc(Cl)c1

InChI

InChI=1S/C20H25ClN2O3/c1-13-18(11-22-10-17-7-4-8-26-17)19(20(24)25)14(2)23(13)12-15-5-3-6-16(21)9-15/h3,5-6,9,17,22H,4,7-8,10-12H2,1-2H3,(H,24,25)/t17-/m1/s1

InChI Key

FUYQWBSETBTHHI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14803408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.51

Polar Surface Area

50.764

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

11.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

C879-1502 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C879-1502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1502?
Check Price and Availability of C879-1502, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C879-1502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1502
  • 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 C879-1502 available by request