D490-0977 Screening compound: N-(4-bromophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide

D490-0977 Screening compound: N-(4-bromophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
D490-0977 Screening compound: N-(4-bromophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0977
N-(4-bromophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide

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

D490-0977

Molecular Formula

C20H14BrClN4O2S (C20 H14 BrClN4 O2 S)

Compound Name

N-(4-bromophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide

IUPAC name

N-(4-bromophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}propanamide

SMILES

CC(C(Nc(cc1)ccc1Br)=O)SC(NC1=O)=NC(c(cc2)ccc2Cl)=C1C#N

InChI

InChI=1S/C20H14BrClN4O2S/c1-11(18(27)24-15-8-4-13(21)5-9-15)29-20-25-17(16(10-23)19(28)26-20)12-2-6-14(22)7-3-12/h2-9,11H,1H3,(H,24,27)(H,25,26,28)/t11-/m0/s1

InChI Key

IQLKZTQJKFBJOW-NSHDSACASA-N

MDL Number (MFCD)

MFCD10090500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

1.701

Water Solubility, LogSw

-4.87

Polar Surface Area

74.801

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with D490-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0977?
Check Price and Availability of D490-0977, 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 D490-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0977
  • 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 D490-0977 available by request