4028-1321 Screening compound: 3-(3-bromobenzoyl)-1-[4-(morpholin-4-yl)phenyl]thiourea

4028-1321 Screening compound: 3-(3-bromobenzoyl)-1-[4-(morpholin-4-yl)phenyl]thiourea
4028-1321 Screening compound: 3-(3-bromobenzoyl)-1-[4-(morpholin-4-yl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4028-1321
3-(3-bromobenzoyl)-1-[4-(morpholin-4-yl)phenyl]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

4028-1321

Molecular Formula

C18H18BrN3O2S (C18 H18 BrN3 O2 S)

Compound Name

3-(3-bromobenzoyl)-1-[4-(morpholin-4-yl)phenyl]thiourea

IUPAC name

3-(3-bromobenzoyl)-1-[4-(morpholin-4-yl)phenyl]thiourea

SMILES

O=C(c1cccc(Br)c1)NC(Nc(cc1)ccc1N1CCOCC1)=S

InChI

InChI=1S/C18H18BrN3O2S/c19-14-3-1-2-13(12-14)17(23)21-18(25)20-15-4-6-16(7-5-15)22-8-10-24-11-9-22/h1-7,12H,8-11H2,(H2,20,21,23,25)

InChI Key

XGHDPRLVVJZZFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.966

Water Solubility, LogSw

-4.09

Polar Surface Area

44.601

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4028-1321 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4028-1321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4028-1321?
Check Price and Availability of 4028-1321, 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 4028-1321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4028-1321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4028-1321
  • 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 4028-1321 available by request