E649-0946 Screening compound: methyl 4-(acetylamino)-2,3-dimethyl-6-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

E649-0946 Screening compound: methyl 4-(acetylamino)-2,3-dimethyl-6-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate
E649-0946 Screening compound: methyl 4-(acetylamino)-2,3-dimethyl-6-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E649-0946
methyl 4-(acetylamino)-2,3-dimethyl-6-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-b]pyrrole-5-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

E649-0946

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

methyl 4-(acetylamino)-2,3-dimethyl-6-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

IUPAC name

methyl 4-acetamido-23-dimethyl-6-{[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methyl}-6H-thieno[23-b]pyrrole-5-carboxylate

SMILES

CC(Nc1c(C(OC)=O)n(Cc2c(C)oc(-c3ccc(C)cc3)n2)c2c1c(C)c(C)s2)=O

InChI

InChI=1S/C24H25N3O4S/c1-12-7-9-17(10-8-12)22-26-18(14(3)31-22)11-27-21(24(29)30-6)20(25-16(5)28)19-13(2)15(4)32-23(19)27/h7-10H,11H2,1-6H3,(H,25,28)

InChI Key

XVXZFBJSRDYSBF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-4.28

Polar Surface Area

62.484

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.17

E649-0946 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E649-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E649-0946?
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What is the minimum amount of E649-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E649-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E649-0946
  • 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 E649-0946 available by request