V030-0699 Screening compound: 3-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-{[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}thiourea

V030-0699 Screening compound: 3-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-{[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}thiourea
V030-0699 Screening compound: 3-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-{[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0699
3-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-{[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}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

V030-0699

Molecular Formula

C27H34FN5OS (C27 H34 FN5 OS)

Compound Name

3-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-{[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}thiourea

IUPAC name

3-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-{[5-(2-methylpiperidin-1-yl)-3-phenyl-12-oxazol-4-yl]methyl}thiourea

SMILES

CC(CCCC1)N1c1c(CN(CCN(C)C)C(Nc(cc2)ccc2F)=S)c(-c2ccccc2)no1

InChI

InChI=1S/C27H34FN5OS/c1-20-9-7-8-16-33(20)26-24(25(30-34-26)21-10-5-4-6-11-21)19-32(18-17-31(2)3)27(35)29-23-14-12-22(28)13-15-23/h4-6,10-15,20H,7-9,16-19H2,1-3H3,(H,29,35)/t20-/m0/s1

InChI Key

HKJSVDYSPZBVMO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19883489

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.206

Distribution Coefficient, logD

2.858

Water Solubility, LogSw

-5.02

Polar Surface Area

40.127

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

9.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with V030-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0699?
Check Price and Availability of V030-0699, 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 V030-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0699
  • 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 V030-0699 available by request