Y502-7137 Screening compound: ethyl 2-{[2-({4-[4-(difluoromethoxy)phenyl]-2-pyrimidinyl}sulfanyl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Y502-7137 Screening compound: ethyl 2-{[2-({4-[4-(difluoromethoxy)phenyl]-2-pyrimidinyl}sulfanyl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Y502-7137 Screening compound: ethyl 2-{[2-({4-[4-(difluoromethoxy)phenyl]-2-pyrimidinyl}sulfanyl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-7137
ethyl 2-{[2-({4-[4-(difluoromethoxy)phenyl]-2-pyrimidinyl}sulfanyl)acetyl]amino}-6-methyl-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

Y502-7137

Molecular Formula

C25H25F2N3O4S2 (C25 H25 F2 N3 O4 S2)

Compound Name

ethyl 2-{[2-({4-[4-(difluoromethoxy)phenyl]-2-pyrimidinyl}sulfanyl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[2-({4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)acetamido]-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nc(-c(cc3)ccc3OC(F)F)ccn2)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C25H25F2N3O4S2/c1-3-33-23(32)21-17-9-4-14(2)12-19(17)36-22(21)30-20(31)13-35-25-28-11-10-18(29-25)15-5-7-16(8-6-15)34-24(26)27/h5-8,10-11,14,24H,3-4,9,12-13H2,1-2H3,(H,30,31)/t14-/m1/s1

InChI Key

AHARZZPXMCVSQB-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.785

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-5.60

Polar Surface Area

67.644

Acid Dissociation Constant (pKa)

5.38

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with Y502-7137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-7137?
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What is the minimum amount of Y502-7137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-7137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-7137
  • 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 Y502-7137 available by request