Y204-4602 Screening compound: 2-({[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}carbonyl)-1-cyclohexanecarboxylic acid

Y204-4602 Screening compound: 2-({[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}carbonyl)-1-cyclohexanecarboxylic acid
Y204-4602 Screening compound: 2-({[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}carbonyl)-1-cyclohexanecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-4602
2-({[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}carbonyl)-1-cyclohexanecarboxylic 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

Y204-4602

Molecular Formula

C19H26N2O4S (C19 H26 N2 O4 S)

Compound Name

2-({[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}carbonyl)-1-cyclohexanecarboxylic acid

IUPAC name

2-({3-carbamoyl-4H5H6H7H8H9H-cycloocta[b]thiophen-2-yl}carbamoyl)cyclohexane-1-carboxylic acid

SMILES

NC(c1c(NC(C(CCCC2)C2C(O)=O)=O)sc2c1CCCCCC2)=O

InChI

InChI=1S/C19H26N2O4S/c20-16(22)15-13-9-3-1-2-4-10-14(13)26-18(15)21-17(23)11-7-5-6-8-12(11)19(24)25/h11-12H,1-10H2,(H2,20,22)(H,21,23)(H,24,25)

InChI Key

VHMOGCXEKBECKN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.270

Distribution Coefficient, logD

-0.381

Water Solubility, LogSw

-2.85

Polar Surface Area

86.035

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.16

Y204-4602 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y204-4602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-4602?
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What is the minimum amount of Y204-4602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-4602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-4602
  • 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 Y204-4602 available by request