Y508-6442 Screening compound: methyl 6-(tert-butyl)-2-[({5-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-furyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Y508-6442 Screening compound: methyl 6-(tert-butyl)-2-[({5-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-furyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Y508-6442 Screening compound: methyl 6-(tert-butyl)-2-[({5-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-furyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-6442
methyl 6-(tert-butyl)-2-[({5-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-furyl}carbonyl)amino]-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

Y508-6442

Molecular Formula

C26H25F4NO5S (C26 H25 F4 NO5 S)

Compound Name

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

IUPAC name

n/a

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(OC)=O)c(NC(c1ccc(COc(c(F)c(cc3F)F)c3F)o1)=O)s2

InChI

InChI=1S/C26H25F4NO5S/c1-26(2,3)12-5-7-14-18(9-12)37-24(19(14)25(33)34-4)31-23(32)17-8-6-13(36-17)11-35-22-20(29)15(27)10-16(28)21(22)30/h6,8,10,12H,5,7,9,11H2,1-4H3,(H,31,32)/t12-/m1/s1

InChI Key

GAXRFXMXMCVITQ-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.107

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-5.74

Polar Surface Area

59.461

Acid Dissociation Constant (pKa)

4.40

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with Y508-6442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-6442?
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What is the minimum amount of Y508-6442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-6442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-6442
  • 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 Y508-6442 available by request