D291-1007 Screening compound: ethyl 4-(1,5-dimethyl-1H-indole-2-amido)benzoate

D291-1007 Screening compound: ethyl 4-(1,5-dimethyl-1H-indole-2-amido)benzoate
D291-1007 Screening compound: ethyl 4-(1,5-dimethyl-1H-indole-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D291-1007
ethyl 4-(1,5-dimethyl-1H-indole-2-amido)benzoate

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

D291-1007

Molecular Formula

C20H20N2O3 (C20 H20 N2 O3)

Compound Name

ethyl 4-(1,5-dimethyl-1H-indole-2-amido)benzoate

IUPAC name

ethyl 4-(15-dimethyl-1H-indole-2-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1cc(cc(C)cc2)c2n1C)=O)=O

InChI

InChI=1S/C20H20N2O3/c1-4-25-20(24)14-6-8-16(9-7-14)21-19(23)18-12-15-11-13(2)5-10-17(15)22(18)3/h5-12H,4H2,1-3H3,(H,21,23)

InChI Key

NOPFNBDKYQHATG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17011114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.645

Water Solubility, LogSw

-4.45

Polar Surface Area

45.619

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D291-1007 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D291-1007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D291-1007?
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What is the minimum amount of D291-1007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D291-1007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D291-1007
  • 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 D291-1007 available by request