V021-0272 Screening compound: 1-[4-(3,4-difluorophenoxy)-6-(4-fluorobenzenesulfonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperidine

V021-0272 Screening compound: 1-[4-(3,4-difluorophenoxy)-6-(4-fluorobenzenesulfonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperidine
V021-0272 Screening compound: 1-[4-(3,4-difluorophenoxy)-6-(4-fluorobenzenesulfonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0272
1-[4-(3,4-difluorophenoxy)-6-(4-fluorobenzenesulfonyl)-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

V021-0272

Molecular Formula

C25H25F3N4O3S (C25 H25 F3 N4 O3 S)

Compound Name

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

IUPAC name

1-[4-(34-difluorophenoxy)-6-(4-fluorobenzenesulfonyl)-5H6H7H8H-pyrido[43-d]pyrimidin-2-yl]-4-methylpiperidine

SMILES

CC(CC1)CCN1c1nc(Oc(cc2)cc(F)c2F)c(CN(CC2)S(c(cc3)ccc3F)(=O)=O)c2n1

InChI

InChI=1S/C25H25F3N4O3S/c1-16-8-11-31(12-9-16)25-29-23-10-13-32(36(33,34)19-5-2-17(26)3-6-19)15-20(23)24(30-25)35-18-4-7-21(27)22(28)14-18/h2-7,14,16H,8-13,15H2,1H3

InChI Key

FTQUDGCYNAOYSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19933210

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.56

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

5.921

Distribution Coefficient, logD

5.921

Water Solubility, LogSw

-5.66

Polar Surface Area

61.568

Acid Dissociation Constant (pKa)

20.19

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V021-0272 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V021-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0272?
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What is the minimum amount of V021-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0272
  • 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 V021-0272 available by request