V005-0460 Screening compound: 5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid

V005-0460 Screening compound: 5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
V005-0460 Screening compound: 5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0460
5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic 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

V005-0460

Molecular Formula

C23H32N4O7S (C23 H32 N4 O7 S)

Compound Name

5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

5-[4-(33-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid

SMILES

CCn1nc(C(O)=O)c(C)c1Oc(ccc(NC(CC(C)(C)C)=O)c1)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C23H32N4O7S/c1-6-27-21(15(2)20(25-27)22(29)30)34-17-8-7-16(24-19(28)14-23(3,4)5)13-18(17)35(31,32)26-9-11-33-12-10-26/h7-8,13H,6,9-12,14H2,1-5H3,(H,24,28)(H,29,30)

InChI Key

AKWOTDXMPRQBRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19788285

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

-0.325

Water Solubility, LogSw

-2.97

Polar Surface Area

112.237

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

V005-0460 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V005-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0460?
Check Price and Availability of V005-0460, 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 V005-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0460
  • 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 V005-0460 available by request