Y202-7585 Screening compound: 3-({[4-(4-isobutylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Y202-7585 Screening compound: 3-({[4-(4-isobutylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Y202-7585 Screening compound: 3-({[4-(4-isobutylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y202-7585
3-({[4-(4-isobutylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-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

Y202-7585

Molecular Formula

C22H26N2O4S (C22 H26 N2 O4 S)

Compound Name

3-({[4-(4-isobutylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

IUPAC name

3-({5-methyl-4-[4-(2-methylpropyl)phenyl]-13-thiazol-2-yl}carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

SMILES

CC(C)Cc(cc1)ccc1-c1c(C)sc(NC(C(C2OC3CC2)C3C(O)=O)=O)n1

InChI

InChI=1S/C22H26N2O4S/c1-11(2)10-13-4-6-14(7-5-13)19-12(3)29-22(23-19)24-20(25)17-15-8-9-16(28-15)18(17)21(26)27/h4-7,11,15-18H,8-10H2,1-3H3,(H,26,27)(H,23,24,25)

InChI Key

CQYDCHQUTBKLOI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.454

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-5.66

Polar Surface Area

70.907

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with Y202-7585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y202-7585?
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What is the minimum amount of Y202-7585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y202-7585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y202-7585
  • 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 Y202-7585 available by request