C197-0458 Screening compound: 3-[({3-[ETHYL(3-METHYLPHENYL)AMINO]PROPYL}CARBAMOYL)METHYL]-1H-INDOLE-2-CARBOXYLIC ACID

C197-0458 Screening compound: 3-[({3-[ETHYL(3-METHYLPHENYL)AMINO]PROPYL}CARBAMOYL)METHYL]-1H-INDOLE-2-CARBOXYLIC ACID
C197-0458 Screening compound: 3-[({3-[ETHYL(3-METHYLPHENYL)AMINO]PROPYL}CARBAMOYL)METHYL]-1H-INDOLE-2-CARBOXYLIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound C197-0458
3-[({3-[ETHYL(3-METHYLPHENYL)AMINO]PROPYL}CARBAMOYL)METHYL]-1H-INDOLE-2-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

C197-0458

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

3-[({3-[ETHYL(3-METHYLPHENYL)AMINO]PROPYL}CARBAMOYL)METHYL]-1H-INDOLE-2-CARBOXYLIC ACID

IUPAC name

n/a

SMILES

CCN(CCCNC(Cc1c(C(O)=O)[nH]c2c1cccc2)=O)c1cc(C)ccc1

InChI

InChI=1S/C23H27N3O3/c1-3-26(17-9-6-8-16(2)14-17)13-7-12-24-21(27)15-19-18-10-4-5-11-20(18)25-22(19)23(28)29/h4-6,8-11,14,25H,3,7,12-13,15H2,1-2H3,(H,24,27)(H,28,29)

InChI Key

ZNWIQWPMEHXIIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.891

Distribution Coefficient, logD

0.337

Water Solubility, LogSw

-3.09

Polar Surface Area

65.797

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C197-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C197-0458?
Check Price and Availability of C197-0458, 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 C197-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C197-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C197-0458
  • 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 C197-0458 available by request