Y203-9761 Screening compound: methyl 2-{[(cyclohexylamino)carbonyl]amino}-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Y203-9761 Screening compound: methyl 2-{[(cyclohexylamino)carbonyl]amino}-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Y203-9761 Screening compound: methyl 2-{[(cyclohexylamino)carbonyl]amino}-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y203-9761
methyl 2-{[(cyclohexylamino)carbonyl]amino}-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

Y203-9761

Molecular Formula

C22H34N2O3S (C22 H34 N2 O3 S)

Compound Name

methyl 2-{[(cyclohexylamino)carbonyl]amino}-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-[(cyclohexylcarbamoyl)amino]-6-(2-methylbutan-2-yl)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCC(C)(C)C(CC1)Cc2c1c(C(OC)=O)c(NC(NC1CCCCC1)=O)s2

InChI

InChI=1S/C22H34N2O3S/c1-5-22(2,3)14-11-12-16-17(13-14)28-19(18(16)20(25)27-4)24-21(26)23-15-9-7-6-8-10-15/h14-15H,5-13H2,1-4H3,(H2,23,24,26)/t14-/m1/s1

InChI Key

NJJSZERCNRJVGR-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.396

Distribution Coefficient, logD

4.713

Water Solubility, LogSw

-5.20

Polar Surface Area

54.478

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.73

References: we are preparing a list of scientific research reports with Y203-9761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y203-9761?
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What is the minimum amount of Y203-9761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y203-9761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y203-9761
  • 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 Y203-9761 available by request