V004-9938 Screening compound: 1-[4-(4-methoxyphenoxy)-6-(3-methylbenzenesulfonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperidine

V004-9938 Screening compound: 1-[4-(4-methoxyphenoxy)-6-(3-methylbenzenesulfonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperidine
V004-9938 Screening compound: 1-[4-(4-methoxyphenoxy)-6-(3-methylbenzenesulfonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9938
1-[4-(4-methoxyphenoxy)-6-(3-methylbenzenesulfonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperidine

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

V004-9938

Molecular Formula

C27H32N4O4S (C27 H32 N4 O4 S)

Compound Name

1-[4-(4-methoxyphenoxy)-6-(3-methylbenzenesulfonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperidine

IUPAC name

1-[4-(4-methoxyphenoxy)-6-(3-methylbenzenesulfonyl)-5H6H7H8H-pyrido[43-d]pyrimidin-2-yl]-4-methylpiperidine

SMILES

CC(CC1)CCN1c1nc(Oc(cc2)ccc2OC)c(CN(CC2)S(c3cc(C)ccc3)(=O)=O)c2n1

InChI

InChI=1S/C27H32N4O4S/c1-19-11-14-30(15-12-19)27-28-25-13-16-31(36(32,33)23-6-4-5-20(2)17-23)18-24(25)26(29-27)35-22-9-7-21(34-3)8-10-22/h4-10,17,19H,11-16,18H2,1-3H3

InChI Key

PJCIAETYSVUFBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19933275

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.084

Distribution Coefficient, logD

6.084

Water Solubility, LogSw

-5.60

Polar Surface Area

69.112

Acid Dissociation Constant (pKa)

20.19

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V004-9938 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V004-9938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9938?
Check Price and Availability of V004-9938, 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 V004-9938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9938
  • 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 V004-9938 available by request