3136-2477 Screening compound: N-{4-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]benzenesulfonyl}acetamide

3136-2477 Screening compound: N-{4-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]benzenesulfonyl}acetamide
3136-2477 Screening compound: N-{4-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]benzenesulfonyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3136-2477
N-{4-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]benzenesulfonyl}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

3136-2477

Molecular Formula

C17H18N6O6S (C17 H18 N6 O6 S)

Compound Name

N-{4-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]benzenesulfonyl}acetamide

IUPAC name

N-{4-[2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetamido]benzenesulfonyl}acetamide

SMILES

CC(NS(c(cc1)ccc1NC(Cn1c(C(N(C)C(N2C)=O)=O)c2nc1)=O)(=O)=O)=O

InChI

InChI=1S/C17H18N6O6S/c1-10(24)20-30(28,29)12-6-4-11(5-7-12)19-13(25)8-23-9-18-15-14(23)16(26)22(3)17(27)21(15)2/h4-7,9H,8H2,1-3H3,(H,19,25)(H,20,24)

InChI Key

YBRWBBGNDXSXKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02007854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.720

Distribution Coefficient, logD

-2.998

Water Solubility, LogSw

-2.14

Polar Surface Area

121.109

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 3136-2477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3136-2477?
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What is the minimum amount of 3136-2477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3136-2477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3136-2477
  • 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 3136-2477 available by request