E769-1407 Screening compound: 1-(adamantan-1-yl)-3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

E769-1407 Screening compound: 1-(adamantan-1-yl)-3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea
E769-1407 Screening compound: 1-(adamantan-1-yl)-3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-1407
1-(adamantan-1-yl)-3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

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

E769-1407

Molecular Formula

C31H33N3OS (C31 H33 N3 OS)

Compound Name

1-(adamantan-1-yl)-3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

IUPAC name

1-(adamantan-1-yl)-3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

SMILES

O=C(NCc1c(-c2cccs2)n(Cc2ccccc2)c2c1cccc2)NC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C31H33N3OS/c35-30(33-31-16-22-13-23(17-31)15-24(14-22)18-31)32-19-26-25-9-4-5-10-27(25)34(20-21-7-2-1-3-8-21)29(26)28-11-6-12-36-28/h1-12,22-24H,13-20H2,(H2,32,33,35)

InChI Key

ATNASFFEXIXYBP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.69

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.471

Distribution Coefficient, logD

7.471

Water Solubility, LogSw

-6.33

Polar Surface Area

35.858

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.70

E769-1407 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E769-1407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-1407?
Check Price and Availability of E769-1407, 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 E769-1407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-1407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-1407
  • 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 E769-1407 available by request