C138-1141 Screening compound: N-(4-bromo-2-methylphenyl)-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

C138-1141 Screening compound: N-(4-bromo-2-methylphenyl)-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
C138-1141 Screening compound: N-(4-bromo-2-methylphenyl)-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-1141
N-(4-bromo-2-methylphenyl)-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}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

C138-1141

Molecular Formula

C21H24BrN5O4S2 (C21 H24 BrN5 O4 S2)

Compound Name

N-(4-bromo-2-methylphenyl)-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

IUPAC name

N-(4-bromo-2-methylphenyl)-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamide

SMILES

Cc(sc(N=CN1CC(Nc(cc2)c(C)cc2Br)=O)c2C1=O)c2S(N1CCN(C)CC1)(=O)=O

InChI

InChI=1S/C21H24BrN5O4S2/c1-13-10-15(22)4-5-16(13)24-17(28)11-26-12-23-20-18(21(26)29)19(14(2)32-20)33(30,31)27-8-6-25(3)7-9-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,24,28)

InChI Key

JKXMSMJYXFMRQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.921

Distribution Coefficient, logD

1.858

Water Solubility, LogSw

-2.84

Polar Surface Area

83.880

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C138-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C138-1141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-1141
  • 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 C138-1141 available by request