V029-9761 Screening compound: 1-(4-methoxyphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide

V029-9761 Screening compound: 1-(4-methoxyphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
V029-9761 Screening compound: 1-(4-methoxyphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9761
1-(4-methoxyphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-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

V029-9761

Molecular Formula

C27H31N5O9S (C27 H31 N5 O9 S)

Compound Name

1-(4-methoxyphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide

IUPAC name

1-(4-methoxyphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide

SMILES

Cc(c(C(NCC1OCCC1)=O)nn1-c(cc2)ccc2OC)c1Oc(ccc([N+]([O-])=O)c1)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C27H31N5O9S/c1-18-25(26(33)28-17-22-4-3-13-40-22)29-31(19-5-8-21(38-2)9-6-19)27(18)41-23-10-7-20(32(34)35)16-24(23)42(36,37)30-11-14-39-15-12-30/h5-10,16,22H,3-4,11-15,17H2,1-2H3,(H,28,33)/t22-/m1/s1

InChI Key

UMQIVMAPHLLKHC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19791436

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

601.64

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.07

Polar Surface Area

134.813

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

V029-9761 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V029-9761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9761?
Check Price and Availability of V029-9761, 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 V029-9761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9761
  • 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 V029-9761 available by request