1699-0258 Screening compound: 3-[(E)-[(5-bromothiophen-2-yl)methylidene]amino]-1-phenylurea

1699-0258 Screening compound: 3-[(E)-[(5-bromothiophen-2-yl)methylidene]amino]-1-phenylurea
1699-0258 Screening compound: 3-[(E)-[(5-bromothiophen-2-yl)methylidene]amino]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1699-0258
3-[(E)-[(5-bromothiophen-2-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

1699-0258

Molecular Formula

C12H10BrN3OS (C12 H10 BrN3 OS)

Compound Name

3-[(E)-[(5-bromothiophen-2-yl)methylidene]amino]-1-phenylurea

IUPAC name

3-[(E)-[(5-bromothiophen-2-yl)methylidene]amino]-1-phenylurea

SMILES

O=C(Nc1ccccc1)N/N=C/c(s1)ccc1Br

InChI

InChI=1S/C12H10BrN3OS/c13-11-7-6-10(18-11)8-14-16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,15,16,17)

InChI Key

RBOAORKWIWDRTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00554744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

4.084

Water Solubility, LogSw

-4.29

Polar Surface Area

45.784

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1699-0258 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1699-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1699-0258?
Check Price and Availability of 1699-0258, 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 1699-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1699-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1699-0258
  • 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 1699-0258 available by request