5774-0069 Screening compound: 2-[(4-AMINO-6-OXO-1

5774-0069 Screening compound: 2-[(4-AMINO-6-OXO-1
5774-0069 Screening compound: 2-[(4-AMINO-6-OXO-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound 5774-0069
2-[(4-AMINO-6-OXO-1

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

5774-0069

Molecular Formula

C11H10ClN5O2S (C11 H10 ClN5 O2 S)

Compound Name

2-[(4-AMINO-6-OXO-1

IUPAC name

n/a

SMILES

NC(N=C(N1)SCC(Nc2cccnc2Cl)=O)=CC1=O

InChI

InChI=1S/C11H10ClN5O2S/c12-10-6(2-1-3-14-10)15-9(19)5-20-11-16-7(13)4-8(18)17-11/h1-4H,5H2,(H,15,19)(H3,13,16,17,18)

InChI Key

SUWLOZRJLLKLSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02818604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.280

Distribution Coefficient, logD

-0.281

Water Solubility, LogSw

-2.33

Polar Surface Area

86.818

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

5774-0069 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5774-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5774-0069?
Check Price and Availability of 5774-0069, 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 5774-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5774-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5774-0069
  • 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 5774-0069 available by request