Screening compound: C28H39N5O3S (C561-2196)

Screening compound: C<sub>28</sub>H<sub>39</sub>N<sub>5</sub>O<sub>3</sub>S (C561-2196)
Screening compound: C<sub>28</sub>H<sub>39</sub>N<sub>5</sub>O<sub>3</sub>S (C561-2196) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C28H39N5O3S (C561-2196)

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

C561-2196

Molecular Formula

C28H39N5O3S (C28 H39 N5 O3 S)

Compound Name

N-[4-(azepane-1-sulfonyl)phenyl]-3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamide

IUPAC name

N-[4-(azepane-1-sulfonyl)phenyl]-3-{1-tert-butyl-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl}propanamide

SMILES

CC(C)(C)n1nc(C)c2c(C)c(CCC(Nc(cc3)ccc3S(N3CCCCCC3)(=O)=O)=O)c(C)nc12

InChI

InChI=1S/C28H39N5O3S/c1-19-24(20(2)29-27-26(19)21(3)31-33(27)28(4,5)6)15-16-25(34)30-22-11-13-23(14-12-22)37(35,36)32-17-9-7-8-10-18-32/h11-14H,7-10,15-18H2,1-6H3,(H,30,34)

InChI Key

RUKARYDBYBNASV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771421

C28H39N5O3S (C561-2196) in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C28H39N5O3S (C561-2196) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C28H39N5O3S (C561-2196)?
Check Price and Availability of C28H39N5O3S (C561-2196), 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 C28H39N5O3S (C561-2196) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C28H39N5O3S (C561-2196)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C28H39N5O3S (C561-2196)
  • 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 C28H39N5O3S (C561-2196) available by request