D276-0304 Screening compound: methyl 4-[2-({4,6-dimethyl-3-[(3-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetamido]benzoate

D276-0304 Screening compound: methyl 4-[2-({4,6-dimethyl-3-[(3-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetamido]benzoate
D276-0304 Screening compound: methyl 4-[2-({4,6-dimethyl-3-[(3-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D276-0304
methyl 4-[2-({4,6-dimethyl-3-[(3-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetamido]benzoate

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

D276-0304

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

methyl 4-[2-({4,6-dimethyl-3-[(3-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-({46-dimethyl-3-[(3-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetamido]benzoate

SMILES

Cc1cccc(NC(c2c(C)cc(C)nc2SCC(Nc(cc2)ccc2C(OC)=O)=O)=O)c1

InChI

InChI=1S/C25H25N3O4S/c1-15-6-5-7-20(12-15)28-23(30)22-16(2)13-17(3)26-24(22)33-14-21(29)27-19-10-8-18(9-11-19)25(31)32-4/h5-13H,14H2,1-4H3,(H,27,29)(H,28,30)

InChI Key

NPAOGXLLXPHREK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10086988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.996

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-4.78

Polar Surface Area

75.935

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D276-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D276-0304?
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What is the minimum amount of D276-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D276-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D276-0304
  • 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 D276-0304 available by request