2221-0088 Screening compound: 4-(4-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

2221-0088 Screening compound: 4-(4-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
2221-0088 Screening compound: 4-(4-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2221-0088
4-(4-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-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

2221-0088

Molecular Formula

C18H15BrClN3OS (C18 H15 BrClN3 OS)

Compound Name

4-(4-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-(4-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(cc2)ccc2Br)=S)=C1C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H15BrClN3OS/c1-10-15(17(24)22-14-8-6-13(20)7-9-14)16(23-18(25)21-10)11-2-4-12(19)5-3-11/h2-9,16H,1H3,(H,22,24)(H2,21,23,25)/t16-/m0/s1

InChI Key

YMSBHOSRUDSSKF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01126935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.405

Distribution Coefficient, logD

4.386

Water Solubility, LogSw

-4.82

Polar Surface Area

45.765

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 2221-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2221-0088?
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What is the minimum amount of 2221-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2221-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2221-0088
  • 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 2221-0088 available by request