C301-8077 Screening compound: methyl 3-{[4-(methylamino)-2-oxo-2H-chromen-3-yl]carbamoyl}-5-nitrobenzoate

C301-8077 Screening compound: methyl 3-{[4-(methylamino)-2-oxo-2H-chromen-3-yl]carbamoyl}-5-nitrobenzoate
C301-8077 Screening compound: methyl 3-{[4-(methylamino)-2-oxo-2H-chromen-3-yl]carbamoyl}-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8077
methyl 3-{[4-(methylamino)-2-oxo-2H-chromen-3-yl]carbamoyl}-5-nitrobenzoate

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

C301-8077

Molecular Formula

C19H15N3O7 (C19 H15 N3 O7)

Compound Name

methyl 3-{[4-(methylamino)-2-oxo-2H-chromen-3-yl]carbamoyl}-5-nitrobenzoate

IUPAC name

methyl 3-{[4-(methylamino)-2-oxo-2H-chromen-3-yl]carbamoyl}-5-nitrobenzoate

SMILES

CNC(c(cccc1)c1OC1=O)=C1NC(c1cc([N+]([O-])=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C19H15N3O7/c1-20-15-13-5-3-4-6-14(13)29-19(25)16(15)21-17(23)10-7-11(18(24)28-2)9-12(8-10)22(26)27/h3-9,20H,1-2H3,(H,21,23)

InChI Key

SABNMRNIVPXIKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.34

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.089

Distribution Coefficient, logD

0.165

Water Solubility, LogSw

-3.08

Polar Surface Area

109.861

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with C301-8077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8077?
Check Price and Availability of C301-8077, 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 C301-8077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8077
  • 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 C301-8077 available by request