8016-4518 Screening compound: N~1~-[4-({[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]amino}sulfonyl)phenyl]acetamide

8016-4518 Screening compound: N~1~-[4-({[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]amino}sulfonyl)phenyl]acetamide
8016-4518 Screening compound: N~1~-[4-({[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]amino}sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4518
N~1~-[4-({[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]amino}sulfonyl)phenyl]acetamide

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

8016-4518

Molecular Formula

C21H15ClF3N5O6S (C21 H15 ClF3 N5 O6 S)

Compound Name

N~1~-[4-({[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]amino}sulfonyl)phenyl]acetamide

IUPAC name

N-(4-{[1-(4-chlorophenyl)-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide

SMILES

CC(Nc(cc1)ccc1S(NC(C(F)(F)F)(C(C(N1)=O)=C(N2)N(c(cc3)ccc3Cl)C1=O)C2=O)(=O)=O)=O

InChI

InChI=1S/C21H15ClF3N5O6S/c1-10(31)26-12-4-8-14(9-5-12)37(35,36)29-20(21(23,24)25)15-16(27-18(20)33)30(19(34)28-17(15)32)13-6-2-11(22)3-7-13/h2-9,29H,1H3,(H,26,31)(H,27,33)(H,28,32,34)/t20-/m0/s1

InChI Key

YCFVQTFMTLJXGE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05856496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.89

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.772

Distribution Coefficient, logD

-2.557

Water Solubility, LogSw

-2.80

Polar Surface Area

130.422

Acid Dissociation Constant (pKa)

3.07

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with 8016-4518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4518?
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What is the minimum amount of 8016-4518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4518
  • 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 8016-4518 available by request