V031-2223 Screening compound: N~5~-(2-{[(tert-butylamino)carbonyl]amino}ethyl)-1-(3,4-dichlorophenyl)-3-ethyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

V031-2223 Screening compound: N~5~-(2-{[(tert-butylamino)carbonyl]amino}ethyl)-1-(3,4-dichlorophenyl)-3-ethyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
V031-2223 Screening compound: N~5~-(2-{[(tert-butylamino)carbonyl]amino}ethyl)-1-(3,4-dichlorophenyl)-3-ethyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2223
N~5~-(2-{[(tert-butylamino)carbonyl]amino}ethyl)-1-(3,4-dichlorophenyl)-3-ethyl-1H-thieno[2,3-c]pyrazole-5-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

V031-2223

Molecular Formula

C21H25Cl2N5O2S (C21 H25 Cl2 N5 O2 S)

Compound Name

N~5~-(2-{[(tert-butylamino)carbonyl]amino}ethyl)-1-(3,4-dichlorophenyl)-3-ethyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

N-{2-[(tert-butylcarbamoyl)amino]ethyl}-1-(34-dichlorophenyl)-3-ethyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

CCc(c1c2sc(C(NCCNC(NC(C)(C)C)=O)=O)c1)nn2-c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C21H25Cl2N5O2S/c1-5-16-13-11-17(18(29)24-8-9-25-20(30)26-21(2,3)4)31-19(13)28(27-16)12-6-7-14(22)15(23)10-12/h6-7,10-11H,5,8-9H2,1-4H3,(H,24,29)(H2,25,26,30)

InChI Key

GISUTVZBPKHCOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19808301

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.711

Distribution Coefficient, logD

4.711

Water Solubility, LogSw

-4.85

Polar Surface Area

74.112

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

V031-2223 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V031-2223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2223?
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What is the minimum amount of V031-2223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2223
  • 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 V031-2223 available by request