7591-0482 Screening compound: 4-chloro-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzene-1-sulfonamide

7591-0482 Screening compound: 4-chloro-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzene-1-sulfonamide
7591-0482 Screening compound: 4-chloro-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0482
4-chloro-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzene-1-sulfonamide

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

7591-0482

Molecular Formula

C23H20ClF3N4O7S (C23 H20 ClF3 N4 O7 S)

Compound Name

4-chloro-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzene-1-sulfonamide

IUPAC name

4-chloro-N-{1-[2-(34-dimethoxyphenyl)ethyl]-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl}benzene-1-sulfonamide

SMILES

COc(ccc(CCN(C(NC(C1(C(F)(F)F)NS(c(cc2)ccc2Cl)(=O)=O)=O)=C1C(N1)=O)C1=O)c1)c1OC

InChI

InChI=1S/C23H20ClF3N4O7S/c1-37-15-8-3-12(11-16(15)38-2)9-10-31-18-17(19(32)29-21(31)34)22(20(33)28-18,23(25,26)27)30-39(35,36)14-6-4-13(24)5-7-14/h3-8,11,30H,9-10H2,1-2H3,(H,28,33)(H,29,32,34)/t22-/m0/s1

InChI Key

BFVULHUEMWTOGA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03941181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.95

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.734

Distribution Coefficient, logD

-0.690

Water Solubility, LogSw

-3.64

Polar Surface Area

123.011

Acid Dissociation Constant (pKa)

3.98

Base Dissociation Constant (pKb)

-8.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 7591-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0482?
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What is the minimum amount of 7591-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0482
  • 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 7591-0482 available by request