G605-0694 Screening compound: 2-{[5-(4-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-cyclopentylacetamide

G605-0694 Screening compound: 2-{[5-(4-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-cyclopentylacetamide
G605-0694 Screening compound: 2-{[5-(4-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G605-0694
2-{[5-(4-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-cyclopentylacetamide

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

G605-0694

Molecular Formula

C21H27N3O4S2 (C21 H27 N3 O4 S2)

Compound Name

2-{[5-(4-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-cyclopentylacetamide

IUPAC name

2-{[5-(4-butylbenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-cyclopentylacetamide

SMILES

CCCCc(cc1)ccc1S(C(C(N1)=O)=CN=C1SCC(NC1CCCC1)=O)(=O)=O

InChI

InChI=1S/C21H27N3O4S2/c1-2-3-6-15-9-11-17(12-10-15)30(27,28)18-13-22-21(24-20(18)26)29-14-19(25)23-16-7-4-5-8-16/h9-13,16H,2-8,14H2,1H3,(H,23,25)(H,22,24,26)

InChI Key

IBCANPTYHBTHQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11993756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-3.86

Polar Surface Area

88.554

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with G605-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G605-0694?
Check Price and Availability of G605-0694, 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 G605-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G605-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G605-0694
  • 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 G605-0694 available by request