V015-2188 Screening compound: ethyl 4-{[(3-methyl-2-thienyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]-5-pyrimidinecarboxylate

V015-2188 Screening compound: ethyl 4-{[(3-methyl-2-thienyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]-5-pyrimidinecarboxylate
V015-2188 Screening compound: ethyl 4-{[(3-methyl-2-thienyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-2188
ethyl 4-{[(3-methyl-2-thienyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]-5-pyrimidinecarboxylate

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

V015-2188

Molecular Formula

C20H18F3N3O2S (C20 H18 F3 N3 O2 S)

Compound Name

ethyl 4-{[(3-methyl-2-thienyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]-5-pyrimidinecarboxylate

IUPAC name

n/a

SMILES

CCOC(c1cnc(-c2ccc(C(F)(F)F)cc2)nc1NCc1c(C)ccs1)=O

InChI

InChI=1S/C20H18F3N3O2S/c1-3-28-19(27)15-10-24-17(13-4-6-14(7-5-13)20(21,22)23)26-18(15)25-11-16-12(2)8-9-29-16/h4-10H,3,11H2,1-2H3,(H,24,25,26)

InChI Key

NLHRFUGTOZUJFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.817

Distribution Coefficient, logD

5.817

Water Solubility, LogSw

-5.41

Polar Surface Area

51.706

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V015-2188 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V015-2188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-2188?
Check Price and Availability of V015-2188, 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 V015-2188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-2188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-2188
  • 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 V015-2188 available by request