V014-5056 Screening compound: methyl 7-ethyl-3-({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V014-5056 Screening compound: methyl 7-ethyl-3-({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V014-5056 Screening compound: methyl 7-ethyl-3-({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5056
methyl 7-ethyl-3-({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

V014-5056

Molecular Formula

C28H28N4O3S (C28 H28 N4 O3 S)

Compound Name

methyl 7-ethyl-3-({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 7-ethyl-3-({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-5-phenyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCC(N=C1SC=C(CC(NCCc2c[nH]c3c2cccc3)=O)N1C1c2ccccc2)=C1C(OC)=O

InChI

InChI=1S/C28H28N4O3S/c1-3-22-25(27(34)35-2)26(18-9-5-4-6-10-18)32-20(17-36-28(32)31-22)15-24(33)29-14-13-19-16-30-23-12-8-7-11-21(19)23/h4-12,16-17,26,30H,3,13-15H2,1-2H3,(H,29,33)/t26-/m1/s1

InChI Key

WSNXWYXKTBKMGJ-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19974202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.20

Polar Surface Area

67.350

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V014-5056 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V014-5056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5056?
Check Price and Availability of V014-5056, 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 V014-5056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5056
  • 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 V014-5056 available by request