L938-0576 Screening compound: ethyl 4-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate

L938-0576 Screening compound: ethyl 4-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate
L938-0576 Screening compound: ethyl 4-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L938-0576
ethyl 4-(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

L938-0576

Molecular Formula

C23H19FN4O3S (C23 H19 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CSc1ncnc2c1[nH]cc2-c1cc(F)ccc1)=O)=O

InChI

InChI=1S/C23H19FN4O3S/c1-2-31-23(30)14-6-8-17(9-7-14)28-19(29)12-32-22-21-20(26-13-27-22)18(11-25-21)15-4-3-5-16(24)10-15/h3-11,13,25H,2,12H2,1H3,(H,28,29)

InChI Key

YZSVUOGZOPCLCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.854

Distribution Coefficient, logD

4.854

Water Solubility, LogSw

-4.57

Polar Surface Area

74.938

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L938-0576 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L938-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L938-0576?
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What is the minimum amount of L938-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L938-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L938-0576
  • 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 L938-0576 available by request