C200-5126 Screening compound: methyl 6-{[(5-bromothiophen-2-yl)sulfonyl]methyl}-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C200-5126 Screening compound: methyl 6-{[(5-bromothiophen-2-yl)sulfonyl]methyl}-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C200-5126 Screening compound: methyl 6-{[(5-bromothiophen-2-yl)sulfonyl]methyl}-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5126
methyl 6-{[(5-bromothiophen-2-yl)sulfonyl]methyl}-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-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

C200-5126

Molecular Formula

C19H19BrN2O7S2 (C19 H19 BrN2 O7 S2)

Compound Name

methyl 6-{[(5-bromothiophen-2-yl)sulfonyl]methyl}-4-(3,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 6-{[(5-bromothiophen-2-yl)sulfonyl]methyl}-4-(34-dimethoxyphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

COC(C(C(c(cc1)cc(OC)c1OC)N1)=C(CS(c(s2)ccc2Br)(=O)=O)NC1=O)=O

InChI

InChI=1S/C19H19BrN2O7S2/c1-27-12-5-4-10(8-13(12)28-2)17-16(18(23)29-3)11(21-19(24)22-17)9-31(25,26)15-7-6-14(20)30-15/h4-8,17H,9H2,1-3H3,(H2,21,22,24)/t17-/m1/s1

InChI Key

RRKOZKVQPXEBRS-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD08569330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.042

Water Solubility, LogSw

-2.96

Polar Surface Area

102.516

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with C200-5126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5126?
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What is the minimum amount of C200-5126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5126
  • 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 C200-5126 available by request