Y010-0321 Screening compound: 1-(2,6-dichlorobenzoyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]urea

Y010-0321 Screening compound: 1-(2,6-dichlorobenzoyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]urea
Y010-0321 Screening compound: 1-(2,6-dichlorobenzoyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0321
1-(2,6-dichlorobenzoyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]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

Y010-0321

Molecular Formula

C19H11Cl2F3N4O2 (C19 H11 Cl2 F3 N4 O2)

Compound Name

1-(2,6-dichlorobenzoyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]urea

IUPAC name

1-(26-dichlorobenzoyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]urea

SMILES

O=C(c(c(Cl)ccc1)c1Cl)NC(Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C19H11Cl2F3N4O2/c20-11-7-4-8-12(21)15(11)16(29)27-18(30)28-17-25-13(10-5-2-1-3-6-10)9-14(26-17)19(22,23)24/h1-9H,(H2,25,26,27,28,29,30)

InChI Key

YRMXFGALJQBALO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06243836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.538

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-6.32

Polar Surface Area

66.154

Acid Dissociation Constant (pKa)

5.86

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

Y010-0321 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y010-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0321?
Check Price and Availability of Y010-0321, 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 Y010-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0321
  • 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 Y010-0321 available by request