F857-0185 Screening compound: 8-{1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]pyrrolidine-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

F857-0185 Screening compound: 8-{1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]pyrrolidine-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
F857-0185 Screening compound: 8-{1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]pyrrolidine-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound F857-0185
8-{1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]pyrrolidine-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

F857-0185

Molecular Formula

C21H29N5O5S (C21 H29 N5 O5 S)

Compound Name

8-{1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]pyrrolidine-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{1-[(1-propyl-1H-123-benzotriazol-5-yl)sulfonyl]pyrrolidine-2-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

CCCn1nnc2c1ccc(S(N(CCC1)C1C(N(CC1)CCC11OCCO1)=O)(=O)=O)c2

InChI

InChI=1S/C21H29N5O5S/c1-2-9-25-18-6-5-16(15-17(18)22-23-25)32(28,29)26-10-3-4-19(26)20(27)24-11-7-21(8-12-24)30-13-14-31-21/h5-6,15,19H,2-4,7-14H2,1H3/t19-/m0/s1

InChI Key

BPEVSKOMZTZCAF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14968264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.924

Distribution Coefficient, logD

0.924

Water Solubility, LogSw

-2.34

Polar Surface Area

89.547

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

F857-0185 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F857-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F857-0185?
Check Price and Availability of F857-0185, 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 F857-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F857-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F857-0185
  • 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 F857-0185 available by request