C341-0134 Screening compound: 1,3-DIMETHYL-6-({4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL}SULFONYL)-1,2,3,4-TETRAHYDROQUINAZOLINE-2,4-DIONE

C341-0134 Screening compound: 1,3-DIMETHYL-6-({4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL}SULFONYL)-1,2,3,4-TETRAHYDROQUINAZOLINE-2,4-DIONE
C341-0134 Screening compound: 1,3-DIMETHYL-6-({4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL}SULFONYL)-1,2,3,4-TETRAHYDROQUINAZOLINE-2,4-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C341-0134
1,3-DIMETHYL-6-({4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL}SULFONYL)-1,2,3,4-TETRAHYDROQUINAZOLINE-2,4-DIONE

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

C341-0134

Molecular Formula

C21H21F3N4O4S (C21 H21 F3 N4 O4 S)

Compound Name

1,3-DIMETHYL-6-({4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL}SULFONYL)-1,2,3,4-TETRAHYDROQUINAZOLINE-2,4-DIONE

IUPAC name

n/a

SMILES

CN(c(ccc(S(N(CC1)CCN1c1cc(C(F)(F)F)ccc1)(=O)=O)c1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C21H21F3N4O4S/c1-25-18-7-6-16(13-17(18)19(29)26(2)20(25)30)33(31,32)28-10-8-27(9-11-28)15-5-3-4-14(12-15)21(22,23)24/h3-7,12-13H,8-11H2,1-2H3

InChI Key

AJWMXHHSPKBBRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-3.61

Polar Surface Area

66.313

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C341-0134 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C341-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C341-0134?
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What is the minimum amount of C341-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C341-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C341-0134
  • 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 C341-0134 available by request