0337-0562 Screening compound: 4-amino-2-sulfanylpyrimidine-5-carboxylic acid

0337-0562 Screening compound: 4-amino-2-sulfanylpyrimidine-5-carboxylic acid
0337-0562 Screening compound: 4-amino-2-sulfanylpyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0337-0562
4-amino-2-sulfanylpyrimidine-5-carboxylic 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

0337-0562

Molecular Formula

C5H5N3O2S (C5 H5 N3 O2 S)

Compound Name

4-amino-2-sulfanylpyrimidine-5-carboxylic acid

IUPAC name

4-amino-2-sulfanylpyrimidine-5-carboxylic acid

SMILES

Nc(nc(nc1)S)c1C(O)=O

InChI

InChI=1S/C5H5N3O2S/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)

InChI Key

DRCCUWZDHQOJQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

171.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.044

Distribution Coefficient, logD

-2.665

Water Solubility, LogSw

-1.40

Polar Surface Area

66.035

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0337-0562 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0337-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0337-0562?
Check Price and Availability of 0337-0562, 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 0337-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0337-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0337-0562
  • 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 0337-0562 available by request