Y500-6321 Screening compound: methyl 2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Y500-6321 Screening compound: methyl 2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Y500-6321 Screening compound: methyl 2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6321
methyl 2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)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

Y500-6321

Molecular Formula

C22H24BrN3O4S (C22 H24 BrN3 O4 S)

Compound Name

methyl 2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-{5-[(4-bromo-35-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-amido}-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(CC1)Cc2c1c(C(OC)=O)c(NC(c1ccc(Cn3nc(C)c(Br)c3C)o1)=O)s2

InChI

InChI=1S/C22H24BrN3O4S/c1-11-5-7-15-17(9-11)31-21(18(15)22(28)29-4)24-20(27)16-8-6-14(30-16)10-26-13(3)19(23)12(2)25-26/h6,8,11H,5,7,9-10H2,1-4H3,(H,24,27)/t11-/m1/s1

InChI Key

HLAJXPBCTXYXCM-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.618

Distribution Coefficient, logD

1.614

Water Solubility, LogSw

-4.56

Polar Surface Area

66.342

Acid Dissociation Constant (pKa)

4.40

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with Y500-6321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6321?
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What is the minimum amount of Y500-6321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6321
  • 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 Y500-6321 available by request