V031-1938 Screening compound: 1-tert-butyl-5-[4-(2-chlorobenzamido)-2-[(4-methylpiperazin-1-yl)sulfonyl]phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid

V031-1938 Screening compound: 1-tert-butyl-5-[4-(2-chlorobenzamido)-2-[(4-methylpiperazin-1-yl)sulfonyl]phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
V031-1938 Screening compound: 1-tert-butyl-5-[4-(2-chlorobenzamido)-2-[(4-methylpiperazin-1-yl)sulfonyl]phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1938
1-tert-butyl-5-[4-(2-chlorobenzamido)-2-[(4-methylpiperazin-1-yl)sulfonyl]phenoxy]-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

V031-1938

Molecular Formula

C27H32ClN5O6S (C27 H32 ClN5 O6 S)

Compound Name

1-tert-butyl-5-[4-(2-chlorobenzamido)-2-[(4-methylpiperazin-1-yl)sulfonyl]phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

1-tert-butyl-5-[4-(2-chlorobenzamido)-2-[(4-methylpiperazin-1-yl)sulfonyl]phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid

SMILES

CC(C)(C)n1nc(C(O)=O)c(C)c1Oc(ccc(NC(c(cccc1)c1Cl)=O)c1)c1S(N1CCN(C)CC1)(=O)=O

InChI

InChI=1S/C27H32ClN5O6S/c1-17-23(26(35)36)30-33(27(2,3)4)25(17)39-21-11-10-18(29-24(34)19-8-6-7-9-20(19)28)16-22(21)40(37,38)32-14-12-31(5)13-15-32/h6-11,16H,12-15H2,1-5H3,(H,29,34)(H,35,36)

InChI Key

BJJDILDQZAUTOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785939

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

590.1

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

0.591

Water Solubility, LogSw

-3.80

Polar Surface Area

108.854

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V031-1938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1938?
Check Price and Availability of V031-1938, 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 V031-1938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1938
  • 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 V031-1938 available by request