C800-0014 Screening compound: 7-({4-[(4-phenylbutan-2-yl)carbamoyl]piperidin-1-yl}sulfonyl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C800-0014 Screening compound: 7-({4-[(4-phenylbutan-2-yl)carbamoyl]piperidin-1-yl}sulfonyl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid
C800-0014 Screening compound: 7-({4-[(4-phenylbutan-2-yl)carbamoyl]piperidin-1-yl}sulfonyl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0014
7-({4-[(4-phenylbutan-2-yl)carbamoyl]piperidin-1-yl}sulfonyl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid

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

C800-0014

Molecular Formula

C30H35N3O5S (C30 H35 N3 O5 S)

Compound Name

7-({4-[(4-phenylbutan-2-yl)carbamoyl]piperidin-1-yl}sulfonyl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid

IUPAC name

7-({4-[(4-phenylbutan-2-yl)carbamoyl]piperidin-1-yl}sulfonyl)-1234-tetrahydroacridine-9-carboxylic acid

SMILES

CC(CCc1ccccc1)NC(C(CC1)CCN1S(c1cc2c(C(O)=O)c(CCCC3)c3nc2cc1)(=O)=O)=O

InChI

InChI=1S/C30H35N3O5S/c1-20(11-12-21-7-3-2-4-8-21)31-29(34)22-15-17-33(18-16-22)39(37,38)23-13-14-27-25(19-23)28(30(35)36)24-9-5-6-10-26(24)32-27/h2-4,7-8,13-14,19-20,22H,5-6,9-12,15-18H2,1H3,(H,31,34)(H,35,36)/t20-/m0/s1

InChI Key

FPOMNAUTHVTTSV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14799633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.816

Distribution Coefficient, logD

1.788

Water Solubility, LogSw

-4.62

Polar Surface Area

93.964

Acid Dissociation Constant (pKa)

4.37

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.30

C800-0014 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C800-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0014?
Check Price and Availability of C800-0014, 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 C800-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0014
  • 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 C800-0014 available by request