V018-9646 Screening compound: 1-[6-(3-chlorobenzenesulfonyl)-4-(4-fluorophenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidine

V018-9646 Screening compound: 1-[6-(3-chlorobenzenesulfonyl)-4-(4-fluorophenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidine
V018-9646 Screening compound: 1-[6-(3-chlorobenzenesulfonyl)-4-(4-fluorophenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9646
1-[6-(3-chlorobenzenesulfonyl)-4-(4-fluorophenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidine

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

V018-9646

Molecular Formula

C23H22ClFN4O3S (C23 H22 ClFN4 O3 S)

Compound Name

1-[6-(3-chlorobenzenesulfonyl)-4-(4-fluorophenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidine

IUPAC name

1-[6-(3-chlorobenzenesulfonyl)-4-(4-fluorophenoxy)-5H6H7H8H-pyrido[43-d]pyrimidin-2-yl]pyrrolidine

SMILES

O=S(c1cccc(Cl)c1)(N(CCc1nc(N2CCCC2)n2)Cc1c2Oc(cc1)ccc1F)=O

InChI

InChI=1S/C23H22ClFN4O3S/c24-16-4-3-5-19(14-16)33(30,31)29-13-10-21-20(15-29)22(32-18-8-6-17(25)7-9-18)27-23(26-21)28-11-1-2-12-28/h3-9,14H,1-2,10-13,15H2

InChI Key

QBOJHBLBTQWMEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19908753

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.638

Distribution Coefficient, logD

5.638

Water Solubility, LogSw

-5.96

Polar Surface Area

61.934

Acid Dissociation Constant (pKa)

19.71

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V018-9646 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V018-9646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9646?
Check Price and Availability of V018-9646, 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 V018-9646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9646
  • 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 V018-9646 available by request