D092-0056 Screening compound: N-[(benzylcarbamoyl)(4-fluorophenyl)methyl]-3-(2,3-dihydro-1H-indol-1-yl)-N-[(thiophen-2-yl)methyl]propanamide

D092-0056 Screening compound: N-[(benzylcarbamoyl)(4-fluorophenyl)methyl]-3-(2,3-dihydro-1H-indol-1-yl)-N-[(thiophen-2-yl)methyl]propanamide
D092-0056 Screening compound: N-[(benzylcarbamoyl)(4-fluorophenyl)methyl]-3-(2,3-dihydro-1H-indol-1-yl)-N-[(thiophen-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0056
N-[(benzylcarbamoyl)(4-fluorophenyl)methyl]-3-(2,3-dihydro-1H-indol-1-yl)-N-[(thiophen-2-yl)methyl]propanamide

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

D092-0056

Molecular Formula

C31H30FN3O2S (C31 H30 FN3 O2 S)

Compound Name

N-[(benzylcarbamoyl)(4-fluorophenyl)methyl]-3-(2,3-dihydro-1H-indol-1-yl)-N-[(thiophen-2-yl)methyl]propanamide

IUPAC name

N-[(benzylcarbamoyl)(4-fluorophenyl)methyl]-3-(23-dihydro-1H-indol-1-yl)-N-[(thiophen-2-yl)methyl]propanamide

SMILES

O=C(CCN(CC1)c2c1cccc2)N(Cc1cccs1)C(C(NCc1ccccc1)=O)c(cc1)ccc1F

InChI

InChI=1S/C31H30FN3O2S/c32-26-14-12-25(13-15-26)30(31(37)33-21-23-7-2-1-3-8-23)35(22-27-10-6-20-38-27)29(36)17-19-34-18-16-24-9-4-5-11-28(24)34/h1-15,20,30H,16-19,21-22H2,(H,33,37)/t30-/m1/s1

InChI Key

DYJYQVFQIHCXBL-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD03123744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.152

Distribution Coefficient, logD

5.148

Water Solubility, LogSw

-5.30

Polar Surface Area

43.245

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.60

D092-0056 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 D092-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0056?
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What is the minimum amount of D092-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0056
  • 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 D092-0056 available by request