V027-6759 Screening compound: ethyl 2-({4-[6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carbonyl}amino)acetate

V027-6759 Screening compound: ethyl 2-({4-[6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carbonyl}amino)acetate
V027-6759 Screening compound: ethyl 2-({4-[6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carbonyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6759
ethyl 2-({4-[6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carbonyl}amino)acetate

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

V027-6759

Molecular Formula

C22H29N5O5 (C22 H29 N5 O5)

Compound Name

ethyl 2-({4-[6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carbonyl}amino)acetate

IUPAC name

ethyl 2-({4-[6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carbonyl}amino)acetate

SMILES

CCOC(CNC(N(CC1)C(C)CN1c1ncnc(Oc(ccc(C)c2)c2OC)c1)=O)=O

InChI

InChI=1S/C22H29N5O5/c1-5-31-21(28)12-23-22(29)27-9-8-26(13-16(27)3)19-11-20(25-14-24-19)32-17-7-6-15(2)10-18(17)30-4/h6-7,10-11,14,16H,5,8-9,12-13H2,1-4H3,(H,23,29)/t16-/m0/s1

InChI Key

OAZRGRQNTYMFIC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19861240

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.013

Distribution Coefficient, logD

3.013

Water Solubility, LogSw

-3.22

Polar Surface Area

83.577

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V027-6759 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-6759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6759?
Check Price and Availability of V027-6759, 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 V027-6759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6759
  • 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 V027-6759 available by request