8018-6072 Screening compound: 3-(4-fluorophenyl)-2-{[(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}propanoic acid

8018-6072 Screening compound: 3-(4-fluorophenyl)-2-{[(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}propanoic acid
8018-6072 Screening compound: 3-(4-fluorophenyl)-2-{[(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6072
3-(4-fluorophenyl)-2-{[(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}propanoic 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

8018-6072

Molecular Formula

C18H17FN2O6S (C18 H17 FN2 O6 S)

Compound Name

3-(4-fluorophenyl)-2-{[(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}propanoic acid

IUPAC name

3-(4-fluorophenyl)-2-(7-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamido)propanoic acid

SMILES

Cc(cc(c(N1)c2)OCC1=O)c2S(NC(Cc(cc1)ccc1F)C(O)=O)(=O)=O

InChI

InChI=1S/C18H17FN2O6S/c1-10-6-15-13(20-17(22)9-27-15)8-16(10)28(25,26)21-14(18(23)24)7-11-2-4-12(19)5-3-11/h2-6,8,14,21H,7,9H2,1H3,(H,20,22)(H,23,24)/t14-/m0/s1

InChI Key

DADYFZWZCIUFGS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07800800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.723

Distribution Coefficient, logD

-3.012

Water Solubility, LogSw

-2.24

Polar Surface Area

103.519

Acid Dissociation Constant (pKa)

3.66

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

8018-6072 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 8018-6072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6072?
Check Price and Availability of 8018-6072, 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 8018-6072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6072
  • 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 8018-6072 available by request