V004-1233 Screening compound: 3-tert-butyl-1-[(furan-2-yl)methyl]-1-{[4-(methoxymethyl)-6-oxo-5-{[3-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidin-2-yl]methyl}urea

V004-1233 Screening compound: 3-tert-butyl-1-[(furan-2-yl)methyl]-1-{[4-(methoxymethyl)-6-oxo-5-{[3-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidin-2-yl]methyl}urea
V004-1233 Screening compound: 3-tert-butyl-1-[(furan-2-yl)methyl]-1-{[4-(methoxymethyl)-6-oxo-5-{[3-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidin-2-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1233
3-tert-butyl-1-[(furan-2-yl)methyl]-1-{[4-(methoxymethyl)-6-oxo-5-{[3-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidin-2-yl]methyl}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

V004-1233

Molecular Formula

C25H29F3N4O4 (C25 H29 F3 N4 O4)

Compound Name

3-tert-butyl-1-[(furan-2-yl)methyl]-1-{[4-(methoxymethyl)-6-oxo-5-{[3-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidin-2-yl]methyl}urea

IUPAC name

3-tert-butyl-1-[(furan-2-yl)methyl]-1-{[4-(methoxymethyl)-6-oxo-5-{[3-(trifluoromethyl)phenyl]methyl}-16-dihydropyrimidin-2-yl]methyl}urea

SMILES

CC(C)(C)NC(N(Cc1ccco1)CC(N1)=NC(COC)=C(Cc2cccc(C(F)(F)F)c2)C1=O)=O

InChI

InChI=1S/C25H29F3N4O4/c1-24(2,3)31-23(34)32(13-18-9-6-10-36-18)14-21-29-20(15-35-4)19(22(33)30-21)12-16-7-5-8-17(11-16)25(26,27)28/h5-11H,12-15H2,1-4H3,(H,31,34)(H,29,30,33)

InChI Key

YCDTXLDQQASQEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19788793

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.875

Distribution Coefficient, logD

3.874

Water Solubility, LogSw

-4.14

Polar Surface Area

76.509

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V004-1233 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V004-1233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1233?
Check Price and Availability of V004-1233, 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 V004-1233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1233
  • 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 V004-1233 available by request