1699-0085 Screening compound: 3-[(E)-[(2-methyl-1H-indol-3-yl)methylidene]amino]-1-phenylurea

1699-0085 Screening compound: 3-[(E)-[(2-methyl-1H-indol-3-yl)methylidene]amino]-1-phenylurea
1699-0085 Screening compound: 3-[(E)-[(2-methyl-1H-indol-3-yl)methylidene]amino]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1699-0085
3-[(E)-[(2-methyl-1H-indol-3-yl)methylidene]amino]-1-phenylurea

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

1699-0085

Molecular Formula

C17H16N4O (C17 H16 N4 O)

Compound Name

3-[(E)-[(2-methyl-1H-indol-3-yl)methylidene]amino]-1-phenylurea

IUPAC name

3-[(E)-[(2-methyl-1H-indol-3-yl)methylidene]amino]-1-phenylurea

SMILES

Cc1c(/C=N/NC(Nc2ccccc2)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C17H16N4O/c1-12-15(14-9-5-6-10-16(14)19-12)11-18-21-17(22)20-13-7-3-2-4-8-13/h2-11,19H,1H3,(H2,20,21,22)

InChI Key

LXYULBFYHDEHCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00556634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.029

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.23

Polar Surface Area

54.692

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1699-0085 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Frequent Hitters Library (7624 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Pool

References: we are preparing a list of scientific research reports with 1699-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1699-0085?
Check Price and Availability of 1699-0085, 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 1699-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1699-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1699-0085
  • 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 1699-0085 available by request