V029-0119 Screening compound: 2-[4-(3,4-dimethylphenyl)piperazin-1-yl]-4-(morpholin-4-yl)-N-(prop-2-en-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide

V029-0119 Screening compound: 2-[4-(3,4-dimethylphenyl)piperazin-1-yl]-4-(morpholin-4-yl)-N-(prop-2-en-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide
V029-0119 Screening compound: 2-[4-(3,4-dimethylphenyl)piperazin-1-yl]-4-(morpholin-4-yl)-N-(prop-2-en-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0119
2-[4-(3,4-dimethylphenyl)piperazin-1-yl]-4-(morpholin-4-yl)-N-(prop-2-en-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide

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

V029-0119

Molecular Formula

C27H37N7O2 (C27 H37 N7 O2)

Compound Name

2-[4-(3,4-dimethylphenyl)piperazin-1-yl]-4-(morpholin-4-yl)-N-(prop-2-en-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide

IUPAC name

2-[4-(34-dimethylphenyl)piperazin-1-yl]-4-(morpholin-4-yl)-N-(prop-2-en-1-yl)-5H6H7H8H-pyrido[43-d]pyrimidine-6-carboxamide

SMILES

Cc(cc1)c(C)cc1N(CC1)CCN1c1nc(N2CCOCC2)c(CN(CC2)C(NCC=C)=O)c2n1

InChI

InChI=1S/C27H37N7O2/c1-4-8-28-27(35)34-9-7-24-23(19-34)25(32-14-16-36-17-15-32)30-26(29-24)33-12-10-31(11-13-33)22-6-5-20(2)21(3)18-22/h4-6,18H,1,7-17,19H2,2-3H3,(H,28,35)

InChI Key

WXPOBRPTBTUATD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19908925

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.981

Distribution Coefficient, logD

3.957

Water Solubility, LogSw

-4.03

Polar Surface Area

63.810

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

V029-0119 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with V029-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0119?
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What is the minimum amount of V029-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0119
  • 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 V029-0119 available by request