Screening compound: C21H31N3O5S (SB83-0775)

Screening compound: C<sub>21</sub>H<sub>31</sub>N<sub>3</sub>O<sub>5</sub>S (SB83-0775)
Screening compound: C<sub>21</sub>H<sub>31</sub>N<sub>3</sub>O<sub>5</sub>S (SB83-0775) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C21H31N3O5S (SB83-0775)

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

SB83-0775

Molecular Formula

C21H31N3O5S (C21 H31 N3 O5 S)

Compound Name

(8aS,12aR)-4-[2-(3-methylphenoxy)acetyl]-1-(methylsulfonyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one

IUPAC name

(8aS12aR)-1-methanesulfonyl-4-[2-(3-methylphenoxy)acetyl]-tetradecahydro-147-benzotriazecin-8-one

SMILES

Cc1cccc(OCC(N(CCNC([C@H]2[C@@H]3CCCC2)=O)CCN3S(C)(=O)=O)=O)c1

InChI

InChI=1S/C21H31N3O5S/c1-16-6-5-7-17(14-16)29-15-20(25)23-11-10-22-21(26)18-8-3-4-9-19(18)24(13-12-23)30(2,27)28/h5-7,14,18-19H,3-4,8-13,15H2,1-2H3,(H,22,26)/t18-,19+/m1/s1

InChI Key

ZOTHVKDHCFBFLU-MOPGFXCFSA-N

MDL Number (MFCD)

C21H31N3O5S (SB83-0775) in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C21H31N3O5S (SB83-0775) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C21H31N3O5S (SB83-0775)?
Check Price and Availability of C21H31N3O5S (SB83-0775), 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 C21H31N3O5S (SB83-0775) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C21H31N3O5S (SB83-0775)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C21H31N3O5S (SB83-0775)
  • 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 C21H31N3O5S (SB83-0775) available by request