G798-0170 Screening compound: ethyl 4-{[1-(6-methoxy-1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G798-0170 Screening compound: ethyl 4-{[1-(6-methoxy-1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G798-0170 Screening compound: ethyl 4-{[1-(6-methoxy-1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G798-0170
ethyl 4-{[1-(6-methoxy-1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

G798-0170

Molecular Formula

C28H31N3O5 (C28 H31 N3 O5)

Compound Name

ethyl 4-{[1-(6-methoxy-1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{[1-(6-methoxy-1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]formamido]methyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(Cc(cc2)ccc2OC)C(c2cc(ccc(OC)c3)c3[nH]2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C28H31N3O5/c1-6-36-28(33)26-17(2)23(18(3)29-26)16-31(15-19-7-10-21(34-4)11-8-19)27(32)25-13-20-9-12-22(35-5)14-24(20)30-25/h7-14,29-30H,6,15-16H2,1-5H3

InChI Key

NRRXFHSPFXKJPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.256

Distribution Coefficient, logD

5.256

Water Solubility, LogSw

-5.40

Polar Surface Area

72.350

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G798-0170 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G798-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G798-0170?
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What is the minimum amount of G798-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G798-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G798-0170
  • 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 G798-0170 available by request