4004-0276 Screening compound: [(Z)-{[2-(4-chlorophenyl)-7-methylindolizin-3-yl]methylidene}amino]thiourea

4004-0276 Screening compound: [(Z)-{[2-(4-chlorophenyl)-7-methylindolizin-3-yl]methylidene}amino]thiourea
4004-0276 Screening compound: [(Z)-{[2-(4-chlorophenyl)-7-methylindolizin-3-yl]methylidene}amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4004-0276
[(Z)-{[2-(4-chlorophenyl)-7-methylindolizin-3-yl]methylidene}amino]thiourea

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

4004-0276

Molecular Formula

C17H15ClN4S (C17 H15 ClN4 S)

Compound Name

[(Z)-{[2-(4-chlorophenyl)-7-methylindolizin-3-yl]methylidene}amino]thiourea

IUPAC name

[(Z)-{[2-(4-chlorophenyl)-7-methylindolizin-3-yl]methylidene}amino]thiourea

SMILES

Cc1cc2cc(-c(cc3)ccc3Cl)c(/C=N\NC(N)=S)n2cc1

InChI

InChI=1S/C17H15ClN4S/c1-11-6-7-22-14(8-11)9-15(12-2-4-13(18)5-3-12)16(22)10-20-21-17(19)23/h2-10H,1H3,(H3,19,21,23)

InChI Key

PFICQAKNROMYEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.66

Polar Surface Area

40.938

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4004-0276 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4004-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4004-0276?
Check Price and Availability of 4004-0276, 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 4004-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4004-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4004-0276
  • 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 4004-0276 available by request