C175-0139 Screening compound: ethyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-1H-indole-2-carboxylate

C175-0139 Screening compound: ethyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-1H-indole-2-carboxylate
C175-0139 Screening compound: ethyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C175-0139
ethyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-1H-indole-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

C175-0139

Molecular Formula

C21H21ClN2O4 (C21 H21 ClN2 O4)

Compound Name

ethyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-1H-indole-2-carboxylate

IUPAC name

ethyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-1H-indole-2-carboxylate

SMILES

CCOC(c([nH]c1c2cccc1)c2NC(C(C)(C)Oc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C21H21ClN2O4/c1-4-27-19(25)18-17(15-7-5-6-8-16(15)23-18)24-20(26)21(2,3)28-14-11-9-13(22)10-12-14/h5-12,23H,4H2,1-3H3,(H,24,26)

InChI Key

JGAUKEQHSSRBLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-4.44

Polar Surface Area

59.027

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C175-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C175-0139?
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What is the minimum amount of C175-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C175-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C175-0139
  • 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 C175-0139 available by request