Y501-8033 Screening compound: 4-amino-3-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-b]pyridin-2-ol

Y501-8033 Screening compound: 4-amino-3-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-b]pyridin-2-ol

Chemical Structure Depiction of ChemDiv screening compound Y501-8033
4-amino-3-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-b]pyridin-2-ol

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

Y501-8033

Molecular Formula

C25H24BrN7O2S2 (C25 H24 BrN7 O2 S2)

Compound Name

4-amino-3-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-b]pyridin-2-ol

IUPAC name

12-amino-11-{[5-(4-bromo-15-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-7-thia-9-azatricyclo[6.4.0.0^{26}]dodeca-1(12)2(6)810-tetraen-10-ol

SMILES

CCOc(cc1)ccc1-n1c(Sc(c(N)c(c(CCC2)c2s2)c2n2)c2O)nnc1-c1nn(C)c(C)c1Br

InChI

InChI=1S/C25H24BrN7O2S2/c1-4-35-14-10-8-13(9-11-14)33-22(20-18(26)12(2)32(3)31-20)29-30-25(33)37-21-19(27)17-15-6-5-7-16(15)36-24(17)28-23(21)34/h8-11H,4-7H2,1-3H3,(H3,27,28,34)

InChI Key

KVSWHGWIVWQKHT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.67

Polar Surface Area

93.223

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with Y501-8033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8033?
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What is the minimum amount of Y501-8033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8033
  • 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 Y501-8033 available by request