L938-0579 Screening compound: methyl 3-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate

L938-0579 Screening compound: methyl 3-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate
L938-0579 Screening compound: methyl 3-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L938-0579
methyl 3-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate

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

L938-0579

Molecular Formula

C22H17FN4O3S (C22 H17 FN4 O3 S)

Compound Name

methyl 3-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 3-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[32-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate

SMILES

COC(c1cccc(NC(CSc2ncnc3c2[nH]cc3-c2cc(F)ccc2)=O)c1)=O

InChI

InChI=1S/C22H17FN4O3S/c1-30-22(29)14-5-3-7-16(9-14)27-18(28)11-31-21-20-19(25-12-26-21)17(10-24-20)13-4-2-6-15(23)8-13/h2-10,12,24H,11H2,1H3,(H,27,28)

InChI Key

WRBCMDAHIDBOFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20750631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.39

Polar Surface Area

75.358

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with L938-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L938-0579?
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What is the minimum amount of L938-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L938-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L938-0579
  • 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 L938-0579 available by request