2994-5453 Screening compound: methyl 2-[(2-amino-5-bromo-6-methyl-4-pyrimidinyl)sulfanyl]acetate

2994-5453 Screening compound: methyl 2-[(2-amino-5-bromo-6-methyl-4-pyrimidinyl)sulfanyl]acetate
2994-5453 Screening compound: methyl 2-[(2-amino-5-bromo-6-methyl-4-pyrimidinyl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2994-5453
methyl 2-[(2-amino-5-bromo-6-methyl-4-pyrimidinyl)sulfanyl]acetate

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

2994-5453

Molecular Formula

C8H10BrN3O2S (C8 H10 BrN3 O2 S)

Compound Name

methyl 2-[(2-amino-5-bromo-6-methyl-4-pyrimidinyl)sulfanyl]acetate

IUPAC name

methyl 2-[(2-amino-5-bromo-6-methylpyrimidin-4-yl)sulfanyl]acetate

SMILES

Cc1nc(N)nc(SCC(OC)=O)c1Br

InChI

InChI=1S/C8H10BrN3O2S/c1-4-6(9)7(12-8(10)11-4)15-3-5(13)14-2/h3H2,1-2H3,(H2,10,11,12)

InChI Key

KSONUSSMDJMSBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01557852

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

292.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.428

Distribution Coefficient, logD

1.428

Water Solubility, LogSw

-1.61

Polar Surface Area

60.563

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

2994-5453 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2994-5453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2994-5453?
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What is the minimum amount of 2994-5453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2994-5453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2994-5453
  • 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 2994-5453 available by request