D244-0158 Screening compound: methyl 2-(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

D244-0158 Screening compound: methyl 2-(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
D244-0158 Screening compound: methyl 2-(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D244-0158
methyl 2-(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

D244-0158

Molecular Formula

C23H22ClN3O3S2 (C23 H22 ClN3 O3 S2)

Compound Name

methyl 2-(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-amido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

Cc1cccc(CSc(nc2)nc(C(Nc3c(C(OC)=O)c(CCCC4)c4s3)=O)c2Cl)c1

InChI

InChI=1S/C23H22ClN3O3S2/c1-13-6-5-7-14(10-13)12-31-23-25-11-16(24)19(26-23)20(28)27-21-18(22(29)30-2)15-8-3-4-9-17(15)32-21/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,27,28)

InChI Key

NINNXHBHXZPSLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.205

Distribution Coefficient, logD

1.358

Water Solubility, LogSw

-6.25

Polar Surface Area

62.532

Acid Dissociation Constant (pKa)

2.55

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with D244-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D244-0158?
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What is the minimum amount of D244-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D244-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D244-0158
  • 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 D244-0158 available by request