V004-1355 Screening compound: 4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine

V004-1355 Screening compound: 4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine
V004-1355 Screening compound: 4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1355
4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)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

V004-1355

Molecular Formula

C21H20ClN3O3S (C21 H20 ClN3 O3 S)

Compound Name

4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine

IUPAC name

4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine

SMILES

CC(C)(C)c1nc(SCc(cccc2)c2Cl)nc(Oc(cc2)ccc2[N+]([O-])=O)c1

InChI

InChI=1S/C21H20ClN3O3S/c1-21(2,3)18-12-19(28-16-10-8-15(9-11-16)25(26)27)24-20(23-18)29-13-14-6-4-5-7-17(14)22/h4-12H,13H2,1-3H3

InChI Key

CQPJCKDLYHXDEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19889570

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.819

Distribution Coefficient, logD

6.819

Water Solubility, LogSw

-6.46

Polar Surface Area

57.290

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V004-1355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1355?
Check Price and Availability of V004-1355, 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 V004-1355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1355
  • 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 V004-1355 available by request