V021-4053 Screening compound: 4-({2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-6-yl}methyl)-2-methoxyphenol

V021-4053 Screening compound: 4-({2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-6-yl}methyl)-2-methoxyphenol
V021-4053 Screening compound: 4-({2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-6-yl}methyl)-2-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4053
4-({2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-6-yl}methyl)-2-methoxyphenol

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

V021-4053

Molecular Formula

C30H32N4O3 (C30 H32 N4 O3)

Compound Name

4-({2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-6-yl}methyl)-2-methoxyphenol

IUPAC name

4-({2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-5H6H7H8H-pyrido[43-d]pyrimidin-6-yl}methyl)-2-methoxyphenol

SMILES

Cc1cccc(Oc2nc(N(C)Cc3ccccc3)nc3c2CN(Cc(cc2)cc(OC)c2O)CC3)c1

InChI

InChI=1S/C30H32N4O3/c1-21-8-7-11-24(16-21)37-29-25-20-34(19-23-12-13-27(35)28(17-23)36-3)15-14-26(25)31-30(32-29)33(2)18-22-9-5-4-6-10-22/h4-13,16-17,35H,14-15,18-20H2,1-3H3

InChI Key

UDHWOGFIOYNSRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19932809

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.755

Distribution Coefficient, logD

5.729

Water Solubility, LogSw

-5.51

Polar Surface Area

57.270

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

V021-4053 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-4053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4053?
Check Price and Availability of V021-4053, 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 V021-4053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4053
  • 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 V021-4053 available by request