H027-2027C Screening compound: 2-{1-(4-chlorobenzoyl)-2-[(dimethylamino)methyl]-5-methoxy-1H-indol-3-yl}acetic acid

H027-2027C Screening compound: 2-{1-(4-chlorobenzoyl)-2-[(dimethylamino)methyl]-5-methoxy-1H-indol-3-yl}acetic acid
H027-2027C Screening compound: 2-{1-(4-chlorobenzoyl)-2-[(dimethylamino)methyl]-5-methoxy-1H-indol-3-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-2027C
2-{1-(4-chlorobenzoyl)-2-[(dimethylamino)methyl]-5-methoxy-1H-indol-3-yl}acetic 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

H027-2027C

Molecular Formula

C21H21ClN2O4 (C21 H21 ClN2 O4)

Compound Name

2-{1-(4-chlorobenzoyl)-2-[(dimethylamino)methyl]-5-methoxy-1H-indol-3-yl}acetic acid

IUPAC name

2-[1-(4-chlorobenzoyl)-2-[(dimethylamino)methyl]-5-methoxy-1H-indol-3-yl]acetic acid

SMILES

CN(C)Cc1c(CC(O)=O)c(cc(cc2)OC)c2n1C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H21ClN2O4/c1-23(2)12-19-17(11-20(25)26)16-10-15(28-3)8-9-18(16)24(19)21(27)13-4-6-14(22)7-5-13/h4-10H,11-12H2,1-3H3,(H,25,26)

InChI Key

OUQZQQUQPSHAEU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

400.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-3.45

Polar Surface Area

54.703

Acid Dissociation Constant (pKa)

3.32

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with H027-2027C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-2027C?
Check Price and Availability of H027-2027C, 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 H027-2027C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-2027C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-2027C
  • 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 H027-2027C available by request