Y502-6199 Screening compound: 4-bromo-N~3~-[4-(difluoromethoxy)-3-methoxyphenyl]-5-nitro-1H-pyrazole-3-carboxamide

Y502-6199 Screening compound: 4-bromo-N~3~-[4-(difluoromethoxy)-3-methoxyphenyl]-5-nitro-1H-pyrazole-3-carboxamide
Y502-6199 Screening compound: 4-bromo-N~3~-[4-(difluoromethoxy)-3-methoxyphenyl]-5-nitro-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-6199
4-bromo-N~3~-[4-(difluoromethoxy)-3-methoxyphenyl]-5-nitro-1H-pyrazole-3-carboxamide

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

Y502-6199

Molecular Formula

C12H9BrF2N4O5 (C12 H9 BrF2 N4 O5)

Compound Name

4-bromo-N~3~-[4-(difluoromethoxy)-3-methoxyphenyl]-5-nitro-1H-pyrazole-3-carboxamide

IUPAC name

4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-nitro-1H-pyrazole-3-carboxamide

SMILES

COc(cc(cc1)NC(c2n[nH]c([N+]([O-])=O)c2Br)=O)c1OC(F)F

InChI

InChI=1S/C12H9BrF2N4O5/c1-23-7-4-5(2-3-6(7)24-12(14)15)16-11(20)9-8(13)10(18-17-9)19(21)22/h2-4,12H,1H3,(H,16,20)(H,17,18)

InChI Key

CKWMPHRRGMVPOB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.13

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.137

Distribution Coefficient, logD

2.079

Water Solubility, LogSw

-3.07

Polar Surface Area

94.498

Acid Dissociation Constant (pKa)

4.23

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with Y502-6199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-6199?
Check Price and Availability of Y502-6199, 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 Y502-6199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-6199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-6199
  • 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 Y502-6199 available by request