D092-0049 Screening compound: N-[(benzylcarbamoyl)(4-methoxyphenyl)methyl]-3-(2,3-dihydro-1H-indol-1-yl)-N-[(thiophen-2-yl)methyl]propanamide

D092-0049 Screening compound: N-[(benzylcarbamoyl)(4-methoxyphenyl)methyl]-3-(2,3-dihydro-1H-indol-1-yl)-N-[(thiophen-2-yl)methyl]propanamide
D092-0049 Screening compound: N-[(benzylcarbamoyl)(4-methoxyphenyl)methyl]-3-(2,3-dihydro-1H-indol-1-yl)-N-[(thiophen-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0049
N-[(benzylcarbamoyl)(4-methoxyphenyl)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

D092-0049

Molecular Formula

C32H33N3O3S (C32 H33 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C(NCc2ccccc2)=O)N(Cc2cccs2)C(CCN(CC2)c3c2cccc3)=O)cc1

InChI

InChI=1S/C32H33N3O3S/c1-38-27-15-13-26(14-16-27)31(32(37)33-22-24-8-3-2-4-9-24)35(23-28-11-7-21-39-28)30(36)18-20-34-19-17-25-10-5-6-12-29(25)34/h2-16,21,31H,17-20,22-23H2,1H3,(H,33,37)/t31-/m1/s1

InChI Key

IEIHTYBDSUMTPY-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD03123739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.105

Distribution Coefficient, logD

5.101

Water Solubility, LogSw

-4.86

Polar Surface Area

50.789

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D092-0049 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D092-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0049?
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What is the minimum amount of D092-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0049
  • 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 D092-0049 available by request