V030-7838 Screening compound: 4-(2H-1,3-benzodioxol-5-yloxy)-2-{[(2,4-difluorophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine

V030-7838 Screening compound: 4-(2H-1,3-benzodioxol-5-yloxy)-2-{[(2,4-difluorophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine
V030-7838 Screening compound: 4-(2H-1,3-benzodioxol-5-yloxy)-2-{[(2,4-difluorophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7838
4-(2H-1,3-benzodioxol-5-yloxy)-2-{[(2,4-difluorophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine

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

V030-7838

Molecular Formula

C21H18F2N2O3S (C21 H18 F2 N2 O3 S)

Compound Name

4-(2H-1,3-benzodioxol-5-yloxy)-2-{[(2,4-difluorophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine

IUPAC name

4-(2H-13-benzodioxol-5-yloxy)-2-{[(24-difluorophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine

SMILES

CC(C)c1nc(SCc(ccc(F)c2)c2F)nc(Oc(cc2)cc3c2OCO3)c1

InChI

InChI=1S/C21H18F2N2O3S/c1-12(2)17-9-20(28-15-5-6-18-19(8-15)27-11-26-18)25-21(24-17)29-10-13-3-4-14(22)7-16(13)23/h3-9,12H,10-11H2,1-2H3

InChI Key

FJOIOIXBRPEWRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19889126

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.852

Distribution Coefficient, logD

5.852

Water Solubility, LogSw

-5.62

Polar Surface Area

41.024

Acid Dissociation Constant (pKa)

21.55

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V030-7838 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V030-7838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7838?
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What is the minimum amount of V030-7838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7838
  • 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 V030-7838 available by request