K784-3981 Screening compound: 2-({cyclopentyl[(thiophen-2-yl)methyl]carbamothioyl}amino)-N-(2,3-dihydro-1H-inden-1-yl)acetamide

K784-3981 Screening compound: 2-({cyclopentyl[(thiophen-2-yl)methyl]carbamothioyl}amino)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
K784-3981 Screening compound: 2-({cyclopentyl[(thiophen-2-yl)methyl]carbamothioyl}amino)-N-(2,3-dihydro-1H-inden-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-3981
2-({cyclopentyl[(thiophen-2-yl)methyl]carbamothioyl}amino)-N-(2,3-dihydro-1H-inden-1-yl)acetamide

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

K784-3981

Molecular Formula

C22H27N3OS2 (C22 H27 N3 OS2)

Compound Name

2-({cyclopentyl[(thiophen-2-yl)methyl]carbamothioyl}amino)-N-(2,3-dihydro-1H-inden-1-yl)acetamide

IUPAC name

2-({cyclopentyl[(thiophen-2-yl)methyl]carbamothioyl}amino)-N-(23-dihydro-1H-inden-1-yl)acetamide

SMILES

O=C(CNC(N(Cc1cccs1)C1CCCC1)=S)NC(CC1)c2c1cccc2

InChI

InChI=1S/C22H27N3OS2/c26-21(24-20-12-11-16-6-1-4-10-19(16)20)14-23-22(27)25(17-7-2-3-8-17)15-18-9-5-13-28-18/h1,4-6,9-10,13,17,20H,2-3,7-8,11-12,14-15H2,(H,23,27)(H,24,26)/t20-/m0/s1

InChI Key

QKXCTHTYHGUDIP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15097715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.884

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-4.78

Polar Surface Area

37.060

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with K784-3981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-3981?
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What is the minimum amount of K784-3981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-3981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-3981
  • 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 K784-3981 available by request