3844-1040 Screening compound: 5-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

3844-1040 Screening compound: 5-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
3844-1040 Screening compound: 5-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3844-1040
5-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic 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

3844-1040

Molecular Formula

C22H23BrN2O5 (C22 H23 BrN2 O5)

Compound Name

5-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

IUPAC name

5-[3-(4-bromophenyl)-5-(23-dimethoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

SMILES

COc1cccc(C(C2)N(C(CCCC(O)=O)=O)N=C2c(cc2)ccc2Br)c1OC

InChI

InChI=1S/C22H23BrN2O5/c1-29-19-6-3-5-16(22(19)30-2)18-13-17(14-9-11-15(23)12-10-14)24-25(18)20(26)7-4-8-21(27)28/h3,5-6,9-12,18H,4,7-8,13H2,1-2H3,(H,27,28)/t18-/m1/s1

InChI Key

GZEHAJGYPDPKJE-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02989923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.851

Distribution Coefficient, logD

1.254

Water Solubility, LogSw

-4.12

Polar Surface Area

70.590

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

3844-1040 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3844-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3844-1040?
Check Price and Availability of 3844-1040, 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 3844-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3844-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3844-1040
  • 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 3844-1040 available by request