V008-4604 Screening compound: N-(butan-2-yl)-2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide

V008-4604 Screening compound: N-(butan-2-yl)-2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
V008-4604 Screening compound: N-(butan-2-yl)-2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4604
N-(butan-2-yl)-2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide

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

V008-4604

Molecular Formula

C27H33N5O6S (C27 H33 N5 O6 S)

Compound Name

N-(butan-2-yl)-2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide

IUPAC name

N-(butan-2-yl)-2-{[1-(25-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide

SMILES

CCC(C)NS(c(cc(cc1)[N+]([O-])=O)c1Oc1c(C)c(C(N2CCCC2)=O)nn1-c1c(C)ccc(C)c1)(=O)=O

InChI

InChI=1S/C27H33N5O6S/c1-6-19(4)29-39(36,37)24-16-21(32(34)35)11-12-23(24)38-27-20(5)25(26(33)30-13-7-8-14-30)28-31(27)22-15-17(2)9-10-18(22)3/h9-12,15-16,19,29H,6-8,13-14H2,1-5H3/t19-/m0/s1

InChI Key

SSXNSJNJPIQYNP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19791048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.66

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.374

Distribution Coefficient, logD

5.374

Water Solubility, LogSw

-5.34

Polar Surface Area

112.980

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

V008-4604 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 V008-4604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4604?
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What is the minimum amount of V008-4604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4604
  • 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 V008-4604 available by request