8012-5640 Screening compound: N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide

8012-5640 Screening compound: N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
8012-5640 Screening compound: N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5640
N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide

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

8012-5640

Molecular Formula

C21H23FN2O3 (C21 H23 FN2 O3)

Compound Name

N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide

IUPAC name

N-[2-(4-fluoro-27-dimethyl-1H-indol-3-yl)ethyl]-34-dimethoxybenzamide

SMILES

Cc([nH]c1c(C)cc2)c(CCNC(c(cc3)cc(OC)c3OC)=O)c1c2F

InChI

InChI=1S/C21H23FN2O3/c1-12-5-7-16(22)19-15(13(2)24-20(12)19)9-10-23-21(25)14-6-8-17(26-3)18(11-14)27-4/h5-8,11,24H,9-10H2,1-4H3,(H,23,25)

InChI Key

DPWBYPAELMMUIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.583

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-4.02

Polar Surface Area

50.451

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8012-5640 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-5640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5640?
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What is the minimum amount of 8012-5640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5640
  • 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 8012-5640 available by request