C610-0169 Screening compound: 2-{[2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}propanoic acid

C610-0169 Screening compound: 2-{[2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}propanoic acid
C610-0169 Screening compound: 2-{[2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C610-0169
2-{[2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}propanoic acid

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

C610-0169

Molecular Formula

C18H18N4O5S (C18 H18 N4 O5 S)

Compound Name

2-{[2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}propanoic acid

IUPAC name

2-{[2-(4-methoxyphenyl)-68-dimethyl-57-dioxo-5H6H7H8H-[13]diazino[45-d]pyrimidin-4-yl]sulfanyl}propanoic acid

SMILES

CC(C(O)=O)Sc1nc(-c(cc2)ccc2OC)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C18H18N4O5S/c1-9(17(24)25)28-15-12-14(21(2)18(26)22(3)16(12)23)19-13(20-15)10-5-7-11(27-4)8-6-10/h5-9H,1-4H3,(H,24,25)/t9-/m0/s1

InChI Key

APWVUNVUVIFJOU-VIFPVBQESA-N

MDL Number (MFCD)

MFCD04470416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

-0.097

Water Solubility, LogSw

-3.27

Polar Surface Area

87.007

Acid Dissociation Constant (pKa)

4.17

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C610-0169 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C610-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C610-0169?
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What is the minimum amount of C610-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C610-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C610-0169
  • 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 C610-0169 available by request