K261-1877 Screening compound: 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(3-isopropoxypropyl)-3-methylbutanamide

K261-1877 Screening compound: 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(3-isopropoxypropyl)-3-methylbutanamide
K261-1877 Screening compound: 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(3-isopropoxypropyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1877
4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(3-isopropoxypropyl)-3-methylbutanamide

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

K261-1877

Molecular Formula

C18H27N3O4S (C18 H27 N3 O4 S)

Compound Name

4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(3-isopropoxypropyl)-3-methylbutanamide

IUPAC name

4-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)-3-methyl-N-[3-(propan-2-yloxy)propyl]butanamide

SMILES

CC(C)OCCCNC(CC(C)CC(N1)=Nc(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C18H27N3O4S/c1-13(2)25-10-6-9-19-18(22)12-14(3)11-17-20-15-7-4-5-8-16(15)26(23,24)21-17/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,19,22)(H,20,21)/t14-/m1/s1

InChI Key

ZPPKEEJLPAYXAH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD15084656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.058

Distribution Coefficient, logD

0.618

Water Solubility, LogSw

-2.35

Polar Surface Area

82.410

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

K261-1877 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K261-1877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1877?
Check Price and Availability of K261-1877, 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 K261-1877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1877
  • 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 K261-1877 available by request