3229-2613 Screening compound: 3-{[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino}-1-(4-chlorophenyl)urea

3229-2613 Screening compound: 3-{[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino}-1-(4-chlorophenyl)urea
3229-2613 Screening compound: 3-{[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino}-1-(4-chlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2613
3-{[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino}-1-(4-chlorophenyl)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

3229-2613

Molecular Formula

C22H19ClN8O (C22 H19 ClN8 O)

Compound Name

3-{[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino}-1-(4-chlorophenyl)urea

IUPAC name

3-{[46-bis(phenylamino)-135-triazin-2-yl]amino}-1-(4-chlorophenyl)urea

SMILES

O=C(Nc(cc1)ccc1Cl)NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1

InChI

InChI=1S/C22H19ClN8O/c23-15-11-13-18(14-12-15)26-22(32)31-30-21-28-19(24-16-7-3-1-4-8-16)27-20(29-21)25-17-9-5-2-6-10-17/h1-14H,(H2,26,31,32)(H3,24,25,27,28,29,30)

InChI Key

AGUYHNGVENKIAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01361332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.645

Distribution Coefficient, logD

5.643

Water Solubility, LogSw

-6.10

Polar Surface Area

97.562

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3229-2613 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Proteases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3229-2613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2613?
Check Price and Availability of 3229-2613, 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 3229-2613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2613
  • 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 3229-2613 available by request