V012-7779 Screening compound: N-(4-fluorophenyl)-4-({[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl}methyl)benzamide

V012-7779 Screening compound: N-(4-fluorophenyl)-4-({[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl}methyl)benzamide
V012-7779 Screening compound: N-(4-fluorophenyl)-4-({[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-7779
N-(4-fluorophenyl)-4-({[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl}methyl)benzamide

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

V012-7779

Molecular Formula

C24H27FN4O2S (C24 H27 FN4 O2 S)

Compound Name

N-(4-fluorophenyl)-4-({[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl}methyl)benzamide

IUPAC name

N-(4-fluorophenyl)-4-({[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl}methyl)benzamide

SMILES

CCCN(C)c1cc(COC)nc(SCc(cc2)ccc2C(Nc(cc2)ccc2F)=O)n1

InChI

InChI=1S/C24H27FN4O2S/c1-4-13-29(2)22-14-21(15-31-3)27-24(28-22)32-16-17-5-7-18(8-6-17)23(30)26-20-11-9-19(25)10-12-20/h5-12,14H,4,13,15-16H2,1-3H3,(H,26,30)

InChI Key

HNBKIESXNHAOSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14261616

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.735

Distribution Coefficient, logD

4.728

Water Solubility, LogSw

-4.51

Polar Surface Area

51.938

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V012-7779 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V012-7779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7779?
Check Price and Availability of V012-7779, 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 V012-7779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7779
  • 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 V012-7779 available by request