6770-0012 Screening compound: 2-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetic acid

6770-0012 Screening compound: 2-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetic acid
6770-0012 Screening compound: 2-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6770-0012
2-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetic acid

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

6770-0012

Molecular Formula

C9H10N4O2S (C9 H10 N4 O2 S)

Compound Name

2-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetic acid

IUPAC name

2-({57-dimethyl-[124]triazolo[43-a]pyrimidin-3-yl}sulfanyl)acetic acid

SMILES

Cc(n12)cc(C)nc2nnc1SCC(O)=O

InChI

InChI=1S/C9H10N4O2S/c1-5-3-6(2)13-8(10-5)11-12-9(13)16-4-7(14)15/h3H,4H2,1-2H3,(H,14,15)

InChI Key

OVGCPCFQTVGRJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01960597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.041

Distribution Coefficient, logD

-3.485

Water Solubility, LogSw

-1.08

Polar Surface Area

60.309

Acid Dissociation Constant (pKa)

3.96

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6770-0012 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6770-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6770-0012?
Check Price and Availability of 6770-0012, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6770-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6770-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6770-0012
  • 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 6770-0012 available by request