Y500-2786 Screening compound: 4-bromo-N-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Y500-2786 Screening compound: 4-bromo-N-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Y500-2786 Screening compound: 4-bromo-N-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-2786
4-bromo-N-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

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

Y500-2786

Molecular Formula

C14H11BrF3N5O2S (C14 H11 BrF3 N5 O2 S)

Compound Name

4-bromo-N-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

IUPAC name

4-bromo-N-{26-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

SMILES

Cc1cc(C(N(C(C)=N2)NC(c(n(C)nc3C(F)(F)F)c3Br)=O)=O)c2s1

InChI

InChI=1S/C14H11BrF3N5O2S/c1-5-4-7-12(26-5)19-6(2)23(13(7)25)21-11(24)9-8(15)10(14(16,17)18)20-22(9)3/h4H,1-3H3,(H,21,24)

InChI Key

AKPGFGUGZNIZCS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.817

Distribution Coefficient, logD

1.813

Water Solubility, LogSw

-2.56

Polar Surface Area

64.751

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y500-2786 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y500-2786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-2786?
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What is the minimum amount of Y500-2786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-2786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-2786
  • 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 Y500-2786 available by request