C795-0616 Screening compound: 2-[3-CHLORO-6-OXO-6A

C795-0616 Screening compound: 2-[3-CHLORO-6-OXO-6A
C795-0616 Screening compound: 2-[3-CHLORO-6-OXO-6A alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0616
2-[3-CHLORO-6-OXO-6A

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

C795-0616

Molecular Formula

C19H16ClF3N4O2 (C19 H16 ClF3 N4 O2)

Compound Name

2-[3-CHLORO-6-OXO-6A

IUPAC name

n/a

SMILES

O=C(CN1c2cc(Cl)cnc2N(CCC2)C2C1=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C19H16ClF3N4O2/c20-12-8-15-17(24-9-12)26-6-2-5-14(26)18(29)27(15)10-16(28)25-13-4-1-3-11(7-13)19(21,22)23/h1,3-4,7-9,14H,2,5-6,10H2,(H,25,28)/t14-/m1/s1

InChI Key

SWRBDQCTTGFZAP-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14796991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.663

Water Solubility, LogSw

-4.14

Polar Surface Area

51.728

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.00

C795-0616 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C795-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0616?
Check Price and Availability of C795-0616, 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 C795-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0616
  • 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 C795-0616 available by request